SCHEMBL30721973

SCHEMBL30721973

O=[N+]([O-])c1cc(F)c(N2C3CCCC2CC3)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
S1PR5 Q9H228 1/20 0.39
F8 P00451 1/20 0.37
F5 P12259 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
PPIA P62937 1/20 0.37
FAAH O00519 2/20 0.37

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
SCHEMBL26984671 1.00 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL30722006 0.81 KDM1A (0.41) CYP19A1CYP11B1CYP11B2S1PR5
SCHEMBL26984852 0.81 KDM1A (0.41) CYP19A1CYP11B1CYP11B2S1PR5
SCHEMBL20333011 0.79 ALDH1A1 (0.38) CYP19A1MEN1KMT2A
SCHEMBL5346048 0.72 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL29865065 0.72 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL371744 0.72 MEN1 (0.65) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL2419677 0.72 MAPT (0.50) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL9388459 0.71 MEN1 (0.58) CYP19A1CYP11B1CYP11B2MEN1MAPT
SCHEMBL9386456 0.70 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151402-A1 THIAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed
EP-4551571-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed