SCHEMBL9308545

SCHEMBL9308545

CC(=O)c1ccc(C)c(NN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2A6 P11509 1/20 0.43
HDAC8 Q9BY41 4/20 0.43
AKR1C3 P42330 6/20 0.42
AKR1C2 P52895 6/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASR P41180 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4012969 0.85 ALDH1A1 (0.62) MAPTALDH1A1AKR1C3NPC1RAB9A
Hydrochloric Acid SCHEMBL1416836 0.83 ALDH1A1 (0.61) MAPTALDH1A1AKR1C3NPC1RAB9A
SCHEMBL15765691 0.82 PRKCI (0.59) PRKCIMAPTCYP2A6HDAC8AKR1C3
SCHEMBL11965655 0.81 PLAU (0.47) MAPTALDH1A1HDAC8HDAC1HDAC6
SCHEMBL11783613 0.81 MAPT (0.47) MAPTALDH1A1HDAC8AKR1C3NPC1
SCHEMBL13100053 0.81 NPC1 (0.56) PRKCIMAPTALDH1A1HDAC8NPC1
SCHEMBL21700146 0.81 PKM (0.50) PRKCIMAPTALDH1A1AKR1C3AKR1C2
SCHEMBL30508348 0.81 NPC1 (0.56) PRKCIMAPTALDH1A1HDAC8NPC1
SCHEMBL17676671 0.81 PRKCI (0.58) PRKCIMAPTALDH1A1CYP2A6AKR1C3
Hydrochloric Acid SCHEMBL6231788 0.80 CYP2C9 (0.55) MAPTALDH1A1SMN1; SMN2TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1666988-A Environmental protection reactive dyeing and use thereof EVERLIGHT USA INC (US) 2005-09-14 CN disclosed
US-5349057-A Water soluble azo dyes containing a cyanoamino-triazinyl-amino group and a fiber-reactive of the sulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5310886-A Fiber-reactive HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
US-3965087-A Trisazo dye containing a diphenylenesulfone structure SAKAI CHEMICAL INDUSTRY COMPANY LTD. (JA) 1976-06-22 US disclosed
US-3951941-A POLYAZODYE SAKAI CHEMICAL INDUSTRY COMPANY, LIMITED (JA) 1976-04-20 US disclosed