SCHEMBL4723936

SCHEMBL4723936

COc1cccc(-c2nn(-c3cc(N4CC(CO)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CXCR3 P49682 1/20 0.34
S1PR1 P21453 1/20 0.34
RIPK2 O43353 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
RORC P51449 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
F10 P00742 1/20 0.34
HCRTR1 O43613 1/20 0.33

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
SCHEMBL4721394 0.94 F10 (0.33) CXCR3F10RBP4
SCHEMBL4719462 0.90 CXCR3 (0.35) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4724946 0.90 TDP1 (0.39) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4721854 0.89 P2RX7 (0.37) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4721851 0.89 P2RX7 (0.37) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4719683 0.89 SMN1; SMN2 (0.34) SMN1; SMN2USP2LMNAGAAMAPT
SCHEMBL4722298 0.88 PDE4A (0.35) MAPTCXCR3KCNK3RBP4
SCHEMBL4720406 0.87 RBP4 (0.32) CXCR3TP53RBP4
SCHEMBL4721648 0.86 MTNR1A (0.39) SMN1; SMN2USP2MAPK1S1PR1ALDH1A1
SCHEMBL4721652 0.86 MTNR1A (0.39) SMN1; SMN2USP2MAPK1S1PR1ALDH1A1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed