SCHEMBL9525949

SCHEMBL9525949

CC(C)(C#N)c1ccc(-c2ccc(C(=O)O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.55
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HPGDS O60760 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ NR4A2 P43354 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ DGAT1 O75907 1/20 0.42

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
SCHEMBL6264067 0.83 RAB9A (0.64) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL9525816 0.78 RAB9A (0.57) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL8339502 0.76 HDAC1 (0.68) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL1660905 0.76 RAB9A (0.64) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL25093293 0.75 JAK2 (0.38) KMT2AKDM4EALDH1A1HDAC6HDAC1
SCHEMBL3939816 0.74 DAO (0.55) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL3756385 0.74 POLB (0.70) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL10715065 0.73 RAB9A (0.55) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL9781557 0.72 DHODH (0.47) MEN1KMT2AALDH1A1GAAJAK2
SCHEMBL422509 0.72 RAB9A (0.72) RAB9APOLBMEN1KMT2AHPGDS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 — — EP disclosed
US-4983619-A Leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1991-01-08 — — US disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 — — EP disclosed
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