SCHEMBL7689936

SCHEMBL7689936

CCc1ccc(NC(=O)Nc2cccc3cccnc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
MEN1 O00255 4/20 0.71
MAPT P10636 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
TP53 P04637 1/20 0.70
MAPK1 P28482 1/20 0.70
MECP2 P51608 1/20 0.70
HDAC3 O15379 3/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC2 Q92769 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
POLB P06746 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
RAB9A P51151 3/20 0.56
TRPV1 Q8NER1 1/20 0.54
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL16456367 0.83 POLB (0.73) KMT2AMAPTSMN1; SMN2TP53HDAC3
SCHEMBL13390514 0.82 SMN1; SMN2 (1.00) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL28966146 0.81 HDAC6 (1.00) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL30285229 0.81 HDAC6 (1.00) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL15441493 0.79 HDAC3 (0.61) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL4122858 0.78 NPC1 (0.76) KMT2AMEN1MAPTSMN1; SMN2HDAC6
SCHEMBL9390447 0.77 MEN1 (0.77) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL8401892 0.76 TDP1 (0.73) KMT2AMEN1MAPTSMN1; SMN2TP53
SCHEMBL1695444 0.76 KDR (0.71) KMT2AMEN1MAPTSMN1; SMN2HDAC6
SCHEMBL29851236 0.76 KDR (0.71) KMT2AMEN1MAPTSMN1; SMN2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337338-B1 INSULIN LIKE GROWTH FACTOR RECEPTOR IN MAMMALS TELIK, INC. 2002-01-08 US claimed
WO-2000035455-A1 HETEROARYL-ARYL UREAS AS IGF-1 RECEPTOR ANTAGONISTS TELIK, INC. (US) 2000-06-22 WO claimed
US-6337338-B1 INSULIN LIKE GROWTH FACTOR RECEPTOR IN MAMMALS TELIK, INC. 2002-01-08 US disclosed
WO-2000035455-A1 HETEROARYL-ARYL UREAS AS IGF-1 RECEPTOR ANTAGONISTS TELIK, INC. (US) 2000-06-22 WO disclosed