SCHEMBL11822985

SCHEMBL11822985

COc1ccc(Cc2nnc(-c3ccccc3C(=O)O)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
ALDH1A1 P00352 8/20 0.55
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 1/20 0.53
EGFR P00533 1/20 0.53
TSHR P16473 4/20 0.52
BRS3 P32247 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
PTK2 Q05397 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL11816112 0.82 RAB9A (0.74) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11822980 0.81 NPC1 (0.68) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11825943 0.81 EGFR (0.53) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2440740 0.80 HPGD (0.52) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11646305 0.74 BRS3 (0.51) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11615095 0.73 ALDH1A1 (0.58) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL32674532 0.73 EGFR (0.52) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11341017 0.73 EGFR (0.52) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11720973 0.73 SMN1; SMN2 (0.49) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2839519 0.73 TSHR (0.66) RAB9AALDH1A1SMN1; SMN2NPC1TSHR

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
US-3964896-A Oxadiazole benzoic acid derivatives as herbicides UNIROYAL, INC. (US) 1976-06-22 US disclosed