SCHEMBL8980778

SCHEMBL8980778

N#Cc1cccn1-c1ccccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HCRTR1 O43613 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7434667 0.81 LMNA (0.38) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL8981227 0.74 CYP1A2 (0.43) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL9221175 0.74 GLA (0.42) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL9043191 0.72 LMNA (0.36) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL7006694 0.71 LMNA (0.41) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL9045587 0.71 LMNA (0.35) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL7008374 0.71 LMNA (0.35) LMNAGLAALDH1A1MAPTHCRTR1
SCHEMBL8980842 0.69 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP1A1CYP1B1
SCHEMBL8981331 0.68 MYC (0.36)
SCHEMBL27525583 0.68 LMNA (0.38) LMNAGLAALDH1A1MAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484937-A ANGIOTENSIN ANTAGONISTS G.D. SEARLE & CO. (US) 1996-01-16 US disclosed
US-5175180-A Antagonist, antagonism G. D. SEARLE & CO. (US) 1992-12-29 US disclosed
WO-1992011255-A1 N-SUBSTITUTED N-(α-TRIAZOLYL-TOLUYL)PYRROLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-07-09 WO disclosed