SCHEMBL8942136

SCHEMBL8942136

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.57
ALKBH5 Q6P6C2 9/20 0.55
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL11778869 0.84 CTSA (0.57) CTSAALKBH5TSHRALDH1A1LMNA
SCHEMBL8942496 0.83 MEN1 (0.55) CTSAALKBH5TSHRALDH1A1LMNA
SCHEMBL1819463 0.83 ALKBH5 (0.61) CTSAALKBH5TSHRALDH1A1LMNA
SCHEMBL11441556 0.82 ALKBH5 (0.59) CTSAALKBH5TSHRALDH1A1LMNA
SCHEMBL951472 0.82 ALKBH5 (0.73) CTSAALKBH5TSHRALDH1A1LMNA
SCHEMBL11807463 0.81 ALKBH5 (0.51) CTSAALKBH5ALDH1A1MAPT
SCHEMBL8990104 0.81 ALKBH5 (0.49) CTSAALKBH5
SCHEMBL11651506 0.80 CTSA (0.60) CTSAALKBH5TSHRALDH1A1POLB
SCHEMBL11334785 0.80 ALKBH5 (0.61) CTSAALKBH5TSHRALDH1A1LMNA
SCHEMBL8942367 0.80 CTSA (0.53) CTSAALKBH5TSHRALDH1A1LMNA

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