SCHEMBL9205708

SCHEMBL9205708

CCc1cc(NC(=O)c2ccccc2OC)cc(C(=O)O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 5/20 0.56
KCNK9 Q9NPC2 5/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPT P10636 3/20 0.53
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GRM5 P41594 1/20 0.52
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
PNLIP P16233 1/20 0.49
BRPF1 P55201 1/20 0.49

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
SCHEMBL9199111 0.83 FADS1 (0.59) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL9199688 0.82 KCNK3 (0.65) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL11594247 0.78 KCNK3 (0.71) KCNK3KCNK9MAPTRAB9AMAPK1
SCHEMBL3050016 0.78 KCNK3 (0.70) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL11795078 0.77 KCNK3 (0.73) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL2362772 0.76 KMT2A (0.82) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL4428019 0.74 MAPT (0.71) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL6294966 0.74 PNLIP (0.70) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL11789635 0.74 KCNK3 (0.68) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL24118801 0.73 GRM5 (0.83) KCNK3KCNK9KDM4EMAPTRAB9A

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-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed