SCHEMBL4457091

SCHEMBL4457091

Cc1cccc2ncn(CC(=O)Nc3ccc(C(=O)O)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NTRK1 P04629 1/20 0.50
F2 P00734 2/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 1/20 0.47
GUSB P08236 1/20 0.47
RXFP1 Q9HBX9 2/20 0.45
TP53 P04637 1/20 0.45
MGLL Q99685 1/20 0.45
LMNA P02545 2/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45
TBXA2R P21731 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL3038535 0.89 HTT (0.56) SMN1; SMN2HTTNPC1RAB9ANTRK1
SCHEMBL4453257 0.89 TP53 (0.59) SMN1; SMN2HTTNPC1RAB9ANTRK1
SCHEMBL4453253 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTNPC1RAB9ANTRK1
SCHEMBL3045782 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HTTNTRK1GUSBTP53
SCHEMBL3044840 0.79 MEN1 (0.67) SMN1; SMN2HTTNPC1RAB9ANTRK1
SCHEMBL4451021 0.79 SMN1; SMN2 (0.67) SMN1; SMN2HTTNPC1RAB9AGUSB
SCHEMBL3042764 0.78 PTGS2 (0.48) SMN1; SMN2HTTNTRK1GUSBTBXA2R
SCHEMBL3037995 0.78 RXFP1 (0.63) SMN1; SMN2HTTRXFP1TP53LMNA
SCHEMBL3042961 0.78 LMNA (0.52) SMN1; SMN2HTTNPC1RAB9ARXFP1
SCHEMBL14420812 0.78 LMNA (0.67) SMN1; SMN2HTTNPC1RAB9ARXFP1

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
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed