SCHEMBL9685149

SCHEMBL9685149

CC1(C)Oc2cc([N+](=O)[O-])c(N)cc2C(O)C1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 6/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL10348272 0.86 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10348274 0.86 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL10348273 0.86 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9661045 0.82 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL9200696 0.80 KCNH2 (0.40) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL9684999 0.80 KCNH2 (0.48) CYP1A2MAPTMEN1KMT2APOLB
SCHEMBL10892820 0.80 KCNH2 (0.48) CYP1A2MAPTMEN1KMT2APOLB
SCHEMBL10892807 0.80 KCNH2 (0.48) CYP1A2MAPTMEN1KMT2APOLB
SCHEMBL11613063 0.79 ABCC9 (0.42) MAPTMEN1KMT2AL3MBTL1TSHR
SCHEMBL11613059 0.79 ABCC9 (0.42) MAPTMEN1KMT2AL3MBTL1TSHR

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
US-5164509-A BENZODIAZOLO ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-11-17 US disclosed
EP-0488107-A2 Tricyclic benzodiazole analogs and their use in the treatment of cardiovascular disorders E.R. SQUIBB & SONS, INC. (US) 1992-06-03 EP disclosed