SCHEMBL9748738

SCHEMBL9748738

N#Cc1c(C#N)c2c(c3c1CCC3)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 11/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
PABPC1 P11940 1/20 0.43
CASP1 P29466 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HPGD P15428 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BPTF Q12830 2/20 0.41
ALOX15 P16050 2/20 0.40

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
SCHEMBL9748593 0.94 MAPK1 (0.50) MAPK1NSD2ALDH1A1KDM4EMAPT
SCHEMBL22011764 0.78 ALDH1A1 (0.47) MAPK1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL22905486 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL24016786 0.73 ALDH1A1 (0.35) MAPK1NSD2ALDH1A1KDM4EMAPT
SCHEMBL22899683 0.73 HTT (0.47) MAPK1ALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL23847337 0.73 ALDH1A1 (0.49) MAPK1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL20933020 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL23847349 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AGAA
SCHEMBL23930705 0.71 HTT (0.42) MAPK1NSD2ALDH1A1KDM4EMAPT
SCHEMBL13329199 0.71 KDM4E (0.65) MAPK1NSD2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305938-B1 PHTHALOCYANINE COMPOUNDS AND UTILITY THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-11-11 EP disclosed
US-4970021-A USED IN OPTICAL RECORDING MEDIA AND LIQUID CRYSTAL DISPLAY PANELS; HIGH-SPEED, LOW-ENERGY LASER WRITING; PHOTOSTABILITY; HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-13 US disclosed
EP-0305938-A1 Phthalocyanine compounds and utility thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-08 EP disclosed