SCHEMBL30411878

SCHEMBL30411878

COc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CCNB2 O95067 2/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ CCNB1 P14635 2/20 0.48
▸ CCNB3 Q8WWL7 2/20 0.48
▸ RIPK1 Q13546 1/20 0.48
▸ GSK3B P49841 2/20 0.47
▸ GCGR P47871 1/20 0.46
▸ MAPK14 Q16539 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
SCHEMBL24108255 1.00 KDM4E (0.53) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL22118349 0.83 CYP1A1 (0.45) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL30411254 0.82 SMN1; SMN2 (0.44) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL24107946 0.82 SMN1; SMN2 (0.44) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL24108254 0.82 DRD1 (0.41) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL24108500 0.82 SCN10A (0.41) RIPK1NPY5R
SCHEMBL30339975 0.82 SCN10A (0.41) RIPK1NPY5R
SCHEMBL24107996 0.79 KDM4E (0.49) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL30340295 0.79 KDM4E (0.49) KDM4ENPC1RAB9AMAPTCASP3
SCHEMBL26045173 0.78 NPC1 (0.48) KDM4ENPC1RAB9AMAPTCASP3

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
CN-116157393-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-05-23 — — CN disclosed
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