SCHEMBL11545313

SCHEMBL11545313

O=C1CCn2c(nc3cc(C(=O)c4ccccc4)ccc32)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 4/20 0.39
TP53 P04637 2/20 0.39
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
CRBN Q96SW2 2/20 0.38
ESR1 P03372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL11544091 0.89 POLB (0.38) ALDH1A1SMN1; SMN2HPGDRAB9APOLB
SCHEMBL11542347 0.84 TP53 (0.40) ALDH1A1SMN1; SMN2RAB9APOLBTP53
SCHEMBL11542181 0.78 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDRAB9APOLB
SCHEMBL1713613 0.78 CRBN (0.44) ALDH1A1HPGDPOLBKDM4ECRBN
SCHEMBL32688313 0.78 CRBN (0.44) ALDH1A1HPGDPOLBKDM4ECRBN
SCHEMBL11542870 0.76 ALPI (0.43) ALDH1A1SMN1; SMN2HPGDRAB9APOLB
SCHEMBL11544625 0.73 MAPT (0.36) ALDH1A1SMN1; SMN2LMNACRBNMEN1
SCHEMBL11546400 0.70 TYMS (0.36) SMN1; SMN2HPGDLMNATP53CRBN
SCHEMBL11543677 0.68 DDB1 (0.32) TP53CRBN
SCHEMBL20595719 0.68 CYP1A2 (0.39) ALDH1A1RAB9AGLAHTTCRBN

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-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed