SCHEMBL10908994

SCHEMBL10908994

O=C1COc2cc(Br)cc3c2N1CCC3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
TTR P02766 1/20 0.38
CES1 P23141 2/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL10909007 0.84 NPC1 (0.39) KMT2AMEN1TSHRNPC1TTR
SCHEMBL9845462 0.82 NPC1 (0.38) NPC1TTRCES1CYP11B1CYP11B2
SCHEMBL10994291 0.79 NPC1 (0.36) KMT2ANPC1TTRCES1CYP11B1
SCHEMBL10912882 0.78 MEN1 (0.43) KMT2AMEN1NPC1TTRCES1
SCHEMBL1762467 0.78 CYP11B1 (0.54) KMT2AMEN1TSHRCYP11B1CYP11B2
SCHEMBL29876793 0.78 NPC1 (0.57) KMT2AMEN1TSHRNPC1TTR
SCHEMBL29876976 0.78 NPC1 (0.36) KMT2AMEN1TSHRNPC1TTR
SCHEMBL31472073 0.78 CYP11B1 (0.38) KMT2ACYP11B1CYP11B2
SCHEMBL10909271 0.77 CES1 (0.50) KMT2AMEN1CES1CYP11B1CYP11B2
SCHEMBL31472210 0.76 NPC1 (0.40) KMT2AMEN1TSHRNPC1TTR

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-2025026270-A1 BENZO NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2025-02-06 WO disclosed
EP-0103797-B1 SUBSTITUTED BENZOXAZINE DERIVATIVES BAYER AG (DE) 1986-11-26 EP disclosed
US-4537888-A Substituted benzoxazine derivatives and fungicidal use BAYER AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
EP-0103797-A2 Substituted benzoxazine derivatives BAYER AG (DE) 1984-03-28 EP disclosed