SCHEMBL21574227

SCHEMBL21574227

Cn1nc(C(=O)N(CC(=O)NC2CCSC2)Cc2cccc(F)c2)c2c1-c1cc(Cl)ccc1OC2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 16/20 0.63
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FSHR P23945 1/20 0.35

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
SCHEMBL18191572 0.92 NR1H4 (0.67) NR1H4MEN1KMT2AKDM4ETSHR
SCHEMBL18191598 0.91 NR1H4 (0.65) NR1H4MEN1KMT2AKDM4ETSHR
SCHEMBL18191658 0.87 NR1H4 (0.61) NR1H4MEN1KMT2A
SCHEMBL18191656 0.87 NR1H4 (0.61) NR1H4POLB
SCHEMBL18191605 0.86 NR1H4 (0.64) NR1H4POLBMAPT
SCHEMBL18191674 0.86 NR1H4 (0.64) NR1H4
SCHEMBL18191662 0.85 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL18191645 0.85 NR1H4 (0.67) NR1H4POLBMAPT
SCHEMBL18198056 0.85 NR1H4 (0.69) NR1H4POLBMAPT
SCHEMBL18191636 0.85 NR1H4 (0.66) NR1H4

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
CN-107531721-B Fused tricyclic pyrazole derivatives for modulating farnesoid X receptors 诺华股份有限公司 2020-07-17 — — CN claimed
CN-107531721-B Fused tricyclic pyrazole derivatives for modulating farnesoid X receptors 诺华股份有限公司 2020-07-17 — — CN disclosed
EP-3288948-B1 FUSED TRICYCLIC PYRAZOLE DERIVATIVES USEFUL FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2019-11-20 — — EP disclosed
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