SCHEMBL30220554

SCHEMBL30220554

CN(C(=O)c1cc2cccc(C(F)(F)F)c2[nH]1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
POLQ O75417 1/20 0.47
TP53 P04637 5/20 0.43
MAPT P10636 5/20 0.40
PYGL P06737 1/20 0.40
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL24896453 1.00 HRH4 (0.48) HRH4POLQTP53MAPTPYGL
SCHEMBL30220516 0.83 TP53 (0.50) HRH4TP53MAPTPYGLLMNA
SCHEMBL24896460 0.83 TP53 (0.50) HRH4TP53MAPTPYGLLMNA
SCHEMBL24896452 0.82 HRH4 (0.53) HRH4POLQSMN1; SMN2KMT2AHSD17B10
SCHEMBL24896445 0.75 HRH4 (0.47) HRH4POLQTP53KMT2A
SCHEMBL30220537 0.75 HRH4 (0.47) HRH4POLQTP53KMT2A
SCHEMBL30220515 0.74 AR (0.51) MAPTPYGLSYKKMT2A
SCHEMBL24896231 0.74 AR (0.51) MAPTPYGLSYKKMT2A
SCHEMBL1145047 0.72 HRH4 (0.60) HRH4MAPTLMNASMN1; SMN2KMT2A
SCHEMBL24896470 0.72 SYK (0.47) TP53PYGLSYKKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370207-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2024-05-22 EP disclosed
WO-2023287704-A1 BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2023-01-19 WO disclosed