SCHEMBL7433856

SCHEMBL7433856

Nc1ccc(Cc2cccnc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TBXAS1 P24557 9/20 0.44
CHRNA7 P36544 1/20 0.43
MMP2 P08253 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP2A6 P11509 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1300912 0.80 GAA (0.54) CYP11B1CYP11B2MEN1CYP3A4BLM
SCHEMBL4042278 0.80 CYP17A1 (0.59) CYP11B1CYP11B2MEN1CYP3A4KMT2A
SCHEMBL691933 0.79 CALM1 (0.48) MEN1CYP3A4KMT2AMPO
SCHEMBL727185 0.76 CYP1A2 (0.62) CYP11B1CYP11B2HRH4HRH3TBXAS1
SCHEMBL9593116 0.76 MEN1 (0.55) CYP11B1CYP11B2HRH4HRH3MEN1
SCHEMBL257969 0.75 CHRNA7 (0.57) CYP11B1CYP11B2HRH4HRH3CYP3A4
SCHEMBL1773262 0.75 TBXAS1 (0.56) CYP11B1CYP11B2HRH4HRH3MEN1
SCHEMBL10920095 0.75 ALDH1A1 (0.48) CYP11B1CYP11B2MEN1TP53CYP3A4
SCHEMBL14257669 0.74 CYP1A2 (0.56) CYP11B1CYP11B2HRH4HRH3TBXAS1
SCHEMBL8307942 0.74 CYP11B1 (0.47) CYP11B1CYP11B2HRH4HRH3TBXAS1

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
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed