SCHEMBL8942496

SCHEMBL8942496

O=C(Nc1ccccc1)c1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CTSA P10619 6/20 0.53
ALKBH5 Q6P6C2 7/20 0.50
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
CDK2 P24941 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL8942136 0.83 CTSA (0.57) CTSAALKBH5TSHRLMNAL3MBTL1
SCHEMBL11651506 0.82 CTSA (0.60) CTSAALKBH5TSHRNPC1RAB9A
SCHEMBL951472 0.80 ALKBH5 (0.73) CTSAALKBH5TSHRLMNAL3MBTL1
SCHEMBL11778869 0.79 CTSA (0.57) CTSAALKBH5TSHRLMNAL3MBTL1
SCHEMBL11782283 0.79 MAPT (0.66) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL11334785 0.79 ALKBH5 (0.61) KMT2ACTSAALKBH5TSHRLMNA
SCHEMBL7626297 0.79 TSHR (0.48) MEN1KMT2ACTSAALKBH5TSHR
SCHEMBL8942367 0.78 CTSA (0.53) CTSAALKBH5TSHRLMNAL3MBTL1
SCHEMBL1819463 0.78 ALKBH5 (0.61) MEN1KMT2ACTSAALKBH5TSHR
SCHEMBL11445425 0.78 TSHR (0.50) MEN1KMT2AALKBH5TSHRNPC1

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
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed