SCHEMBL7710352

SCHEMBL7710352

CSc1cccc(NC=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
ALPG P10696 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL12129057 0.79 ALDH1A1 (0.67) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL13016579 0.79 MEN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL10567833 0.77 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL31231920 0.77 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL7530794 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL2317686 0.75 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL222551 0.75 ALDH1A1 (0.52) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL2813557 0.74 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL2813556 0.74 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL10328177 0.74 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed