SCHEMBL6970802

SCHEMBL6970802

N=C(Cc1ccc(Cc2c[nH]cn2)cc1)NCCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9081323 0.88 ALDH1A1 (0.37) RAB9ANPC1HPGDCA2CA1
SCHEMBL6962458 0.85 RAB9A (0.41) SMN1; SMN2RAB9ANPC1HPGDCA2
SCHEMBL8617900 0.79 RAB9A (0.43) SMN1; SMN2RAB9ANPC1HPGDCA2
SCHEMBL6969101 0.79 MPO (0.40) SMN1; SMN2RAB9ANPC1HPGDMEN1
SCHEMBL6972170 0.77 KMT2A (0.38) RAB9ANPC1HPGDCA2CA1
SCHEMBL649075 0.77 ALDH1A1 (0.46) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL9028080 0.75 L3MBTL1 (0.39) HPGDMEN1KMT2AALDH1A1ALOX12
SCHEMBL8622920 0.74 NOS1 (0.40) SMN1; SMN2RAB9ANPC1HPGDCA2
SCHEMBL6972511 0.73 ALOX5 (0.45) ALDH1A1L3MBTL1
SCHEMBL9078769 0.72 CYP19A1 (0.36) SMN1; SMN2RAB9ANPC1HPGDMEN1

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
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed