SCHEMBL30833708

SCHEMBL30833708

O=[N+]([O-])c1ccc2c(C3CNCCO3)n[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
DAO P14920 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
NOS1 P29475 1/20 0.36
PARP1 P09874 1/20 0.36
MAP2K7 O14733 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL29190560 1.00 MAPT (0.38) MAPTHPGDDAOLMNACYP3A4
SCHEMBL7966906 0.77 MAPT (0.42) MAPTHPGDDAOLMNACYP3A4
SCHEMBL31295238 0.76 DRD2 (0.52) CYP3A4
SCHEMBL21768219 0.76 MAPT (0.46) MAPTHPGDDAOLMNACYP3A4
SCHEMBL1336667 0.74 CHRNB4 (0.45) CHRNB4CHRNA3
SCHEMBL2295355 0.73 DRD2 (0.47)
SCHEMBL5118709 0.73 DRD2 (0.47)
SCHEMBL2295207 0.73 DRD2 (0.47)
SCHEMBL22089840 0.72 DRD2 (0.41)
SCHEMBL28467255 0.71 CYP19A1 (0.43) MAPTCYP3A4NOS1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed