SCHEMBL38665481

SCHEMBL38665481

Cc1nc(C)c([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CTSB P07858 1/20 0.40
TSHR P16473 3/20 0.39
GPR35 Q9HC97 1/20 0.39
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL31257509 0.87 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL1558539 0.87 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL15515029 0.86 CYP1A2 (0.43) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL27831883 0.85 TSHR (0.47) CYP1A2CYP3A4ALDH1A1TSHRGPR35
SCHEMBL31484446 0.85 CYP1A2 (0.42) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL1200517 0.85 GPR35 (0.46) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL1201880 0.85 CYP1A2 (0.42) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL1564582 0.83 ALDH1A1 (0.44) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL16653792 0.83 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1CTSBTSHR
SCHEMBL16653830 0.83 ALDH1A1 (0.44) CYP1A2CYP3A4ALDH1A1CTSBTSHR

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
WO-2026106389-A1 NMT INHIBITOR AND USE THEREOF 주식회사 이노보테라퓨틱스 2026-05-21 WO disclosed