SCHEMBL8958738

SCHEMBL8958738

Cc1[c]c(N)n(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
FCGR1A P12314 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
ADORA3 P0DMS8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1907352 0.80 NPC1 (0.47) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL28267545 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL3335572 0.77 NPC1 (0.44) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL6966371 0.67 SMN1; SMN2 (1.00) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL15716766 0.67 MAPT (0.54) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL34059 0.67 SMN1; SMN2 (0.72) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL387289 0.67 CYP1A2 (1.00) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL2461662 0.67 SMN1; SMN2 (0.66) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL11582679 0.67 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1
SCHEMBL3487668 0.67 MAPK1 (0.56) SMN1; SMN2MAPK1CYP1A2CYP2C19NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4355823-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1982-10-26 US claimed
US-4065447-A MONOAZO DYES SANDOZ LTD. (CH) 1977-12-27 US claimed
US-4054718-A Heat-sensitive recording material containing a malachite green color former CIBA-GEIGY CORPORATION (US) 1977-10-18 US claimed
US-5510468-A FOR DYEING NATURAL OR SYNTHETIC SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5380859-A Couplers for preparing azo dyes BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
EP-0572450-B1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AG (DE) 1994-10-26 EP disclosed
EP-0572450-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS. BASF AG (DE) 1993-12-08 EP disclosed
WO-1992014791-A1 AZO DYES HAVING A DIAZO COMPONENT FROM THE AMINOBENZOPHENONE SERIES, AS WELL AS BISULPHONATED PYRIDONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1992-09-03 WO disclosed
US-4369326-A CHROMOGENS FOR PRESSURE SENSITIVE OR HEAT SENSITIVE RECORDING MATERIAL CIBA-GEIGY CORPORATION (US) 1983-01-18 US disclosed
US-4355823-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1982-10-26 US disclosed
US-4275005-A DYES FOR HEAT OR PRESSURE SENSITIVE DUPLICATION CIBA-GEIGY CORPORATION (US) 1981-06-23 US disclosed
US-4254032-A COLOR FORMERS FOR HEAT SENSITIVE OR PRESSURE SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1981-03-03 US disclosed
US-4065447-A MONOAZO DYES SANDOZ LTD. (CH) 1977-12-27 US disclosed
US-4054718-A Heat-sensitive recording material containing a malachite green color former CIBA-GEIGY CORPORATION (US) 1977-10-18 US disclosed