SCHEMBL5897142

SCHEMBL5897142

Cc1cc2nc(CNC(=O)O)[nH]c2cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
ATM Q13315 2/20 0.57
PSMD14 O00487 1/20 0.57
MMP2 P08253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
CACNA1G O43497 1/20 0.51
F9 P00740 4/20 0.48
CACNA1H O95180 1/20 0.48
HSD17B10 Q99714 1/20 0.47
F10 P00742 1/20 0.46
FABP6 P51161 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 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
SCHEMBL20088380 0.85 CACNA1G (0.71) KMT2AMEN1MAPTATMPSMD14
SCHEMBL23522710 0.83 CACNA1G (0.72) SMN1; SMN2CACNA1GCACNA1HF10CYP1A2
SCHEMBL11296982 0.82 SMN1; SMN2 (0.61) KMT2AMEN1MAPTSMN1; SMN2CACNA1G
SCHEMBL11296984 0.82 SMN1; SMN2 (0.76) KMT2AMEN1SMN1; SMN2F9HSD17B10
SCHEMBL31735460 0.81 MEN1 (0.60) KMT2AMEN1MAPTATMPSMD14
SCHEMBL16188974 0.80 KMT2A (0.64) KMT2AMEN1MAPTATMPSMD14
SCHEMBL16443968 0.79 MAPT (0.61) KMT2AMEN1MAPTTDP1SMN1; SMN2
SCHEMBL23705458 0.78 HDAC6 (0.57) MAPTMMP2SMN1; SMN2CACNA1GKDM4E
SCHEMBL23497870 0.78 SMN1; SMN2 (0.47) KMT2AMAPTSMN1; SMN2CACNA1GCACNA1H
SCHEMBL4240617 0.78 KMT2A (0.49) KMT2AMAPTSMN1; SMN2CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125883-B1 Integrin receptor ligands ABBOTT GMBH & CO. KG (DE) 2006-10-24 US disclosed