SCHEMBL22340249

SCHEMBL22340249

[O-][S+](c1ccc(Br)cc1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
FKBP1A P62942 1/20 0.33
CYP2A6 P11509 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTA4H P09960 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL22643223 0.98 HPGD (0.36) HPGDSMN1; SMN2NPC1RAB9ASIGMAR1
SCHEMBL18828601 0.82 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL3773093 0.81 DPP4 (0.34)
SCHEMBL12406349 0.79 PKM (0.38) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL19313630 0.79 ALDH1A1 (0.41) NPC1RAB9ASIGMAR1ALDH1A1USP2
SCHEMBL20195364 0.78 KCNH2 (0.35) HPGDSIGMAR1ALDH1A1
SCHEMBL6595771 0.78 DUSP3 (0.49) HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3785904 0.78 DPP4 (0.33) HPGDALDH1A1LMNA
SCHEMBL14538645 0.78 KMT2A (0.39) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12169282 0.78 KMT2A (0.39) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed