SCHEMBL30220577

SCHEMBL30220577

CN(C(=O)c1cc2ccc(F)cc2o1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 5/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
PRMT5 O14744 2/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
SYK P43405 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL24896447 1.00 ALDH1A1 (0.41) ALDH1A1HPGDNPC1TSHRMAPK1
SCHEMBL24896448 0.81 TSHR (0.54) ALDH1A1HPGDNPC1TSHRMAPK1
SCHEMBL24896457 0.78 APP (0.45) ALDH1A1HPGDNPC1TSHRMAPK1
SCHEMBL6960727 0.76 MEN1 (0.54) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL30220621 0.74 TRPM8 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30220515 0.74 AR (0.51) SYKKMT2AMEN1MAPT
SCHEMBL24896456 0.74 TRPM8 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL24896231 0.74 AR (0.51) SYKKMT2AMEN1MAPT
SCHEMBL16795786 0.70 ALDH1A1 (0.53) ALDH1A1HPGDNPC1TSHRMAPK1
SCHEMBL7703668 0.68 NPC1 (0.49) ALDH1A1HPGDNPC1TSHRMAPK1

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