SCHEMBL29999860

SCHEMBL29999860

C=C(OCC)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 7/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL27089356 1.00 NPC1 (0.46) NPC1MAPTPOLBCYP2C9CYP2C19
SCHEMBL29960870 0.84 NPC1 (0.61) NPC1MAPTPOLBCYP2C9CYP2C19
SCHEMBL29083934 0.84 NPC1 (0.61) NPC1MAPTPOLBCYP2C9CYP2C19
SCHEMBL27191977 0.78 ALDH1A1 (0.42) MAPTPOLBGAAKMT2AALDH1A1
SCHEMBL30702064 0.78 ALDH1A1 (0.42) MAPTPOLBGAAKMT2AALDH1A1
SCHEMBL10754805 0.76 MAPK1 (0.50) MAPTPOLBGAAKMT2AALDH1A1
SCHEMBL17516281 0.76 ATM (0.49) POLBCYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL14534667 0.75 MAPT (0.46) NPC1MAPTPOLBGLAKMT2A
SCHEMBL31310325 0.73 MAPT (0.45) NPC1MAPTPOLBGLAKMT2A
SCHEMBL25219283 0.73 HCAR2 (0.46) MAPTPOLBCYP2C9CYP2C19GAA

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-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — WO disclosed
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