SCHEMBL7900357

SCHEMBL7900357

C[C@@H](CO)Nc1ccc(Br)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
HCAR3 P49019 3/20 0.46
RAB9A P51151 7/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7893005 1.00 FDPS (0.53) FDPSMEN1KMT2ATP53MAPT
SCHEMBL7902111 0.82 FDPS (0.56) FDPSMEN1KMT2ATP53MAPT
SCHEMBL13115720 0.81 RAB9A (0.49) MEN1KMT2AMAPTHPGDHCAR3
SCHEMBL1181647 0.80 FDPS (0.56) FDPSMEN1KMT2ATP53MAPT
SCHEMBL2794101 0.79 HCAR3 (0.46) HCAR3
SCHEMBL2789758 0.79 HCAR3 (0.46) HCAR3
SCHEMBL7893408 0.79 HCAR3 (0.46) HCAR3
SCHEMBL15511709 0.79 CDK9 (0.47) MEN1KMT2ATP53MAPTHPGD
SCHEMBL15511714 0.79 CDK9 (0.47) MEN1KMT2ATP53MAPTHPGD
SCHEMBL27310430 0.77 HCAR3 (0.44) HCAR3

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
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed