SCHEMBL31451443

SCHEMBL31451443

Cc1c(NC(=O)c2ccc(F)cc2F)cccc1-c1nc2cc(Cl)ccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 9/20 0.66
▸ MAPT P10636 8/20 0.66
▸ KMT2A Q03164 2/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ THRB P10828 2/20 0.56
▸ LMNA P02545 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 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
SCHEMBL31451702 0.95 MAPT (0.69) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451268 0.90 MAPT (0.67) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451654 0.89 MAPT (0.69) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451514 0.88 MAPT (0.69) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451710 0.83 MAPT (0.66) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451632 0.82 TP53 (0.57) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451507 0.82 MAPT (0.64) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451567 0.81 MAPT (0.60) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451577 0.80 MAPT (0.70) TP53MAPTKMT2ARXFP1SMN1; SMN2
SCHEMBL31451534 0.80 MAPT (0.70) TP53MAPTKMT2ARXFP1SMN1; SMN2

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
WO-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 — — WO disclosed
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