SCHEMBL7975301

SCHEMBL7975301

COc1cc2c(cc1OC)CN(C(=O)CSc1cccc(CSc3nc4ccccc4[nH]3)c1C)CC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
MAPK1 P28482 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GCGR P47871 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MPO P05164 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL7974500 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7977556 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL7963947 0.82 RAB9A (0.70) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7977633 0.77 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7977587 0.76 NPC1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL7974288 0.76 KMT2A (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2020664 0.75 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
SCHEMBL7964019 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AMAPK1
2-Mercaptobenzimidazole SCHEMBL7975305 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7975323 0.72 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed