SCHEMBL7401491

SCHEMBL7401491

O=C(CC1CC1)Nc1ccc(Br)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.87
RAB9A P51151 3/20 0.87
NPC1 O15118 2/20 0.87
MEN1 O00255 2/20 0.66
EPHX2 P34913 2/20 0.60
NAMPT P43490 3/20 0.57
IDO1 P14902 1/20 0.56
FPR2 P25090 1/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.53
ALOX12 P18054 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11520494 0.91 RAB9A (0.97) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL14687969 0.89 KMT2A (0.74) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL16825887 0.89 KMT2A (0.74) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL17731110 0.87 IDO1 (0.78) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL1160765 0.84 RAB9A (0.63) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL3332768 0.84 KMT2A (0.63) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL17244556 0.84 POLB (0.63) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL7008242 0.84 IDO1 (0.76) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL2317845 0.83 KMT2A (0.67) KMT2ARAB9ANPC1MEN1EPHX2
SCHEMBL11208728 0.83 EPHX2 (0.83) KMT2ARAB9ANPC1EPHX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
US-6172239-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS SANOFI (FR) 2001-01-09 US disclosed
US-5965579-A ANTAGONISTS OF THE NEUROTENSIN RECEPTORS; INCREASING AFFINITY FOR HUMAN NEUROTENSIN RECEPTORS SANOFI (FR) 1999-10-12 US disclosed
US-5939449-A NOVEL COMPOUNDS HAVING HIGH AFFINITY FOR THE NEUROTENSIN RECEPTORS SANOFI (FR) 1999-08-17 US disclosed
US-5936123-A COMPOUNDS SUCH AS 3-ISOPROPYL-4-HYDRAZINOBENZOIC ACID AND ITS SALTS SANOFI (FR) 1999-08-10 US disclosed
US-5925661-A NERVOUS SYSTEM DISORDERS SANOFI (FR) 1999-07-20 US disclosed
US-5723483-A NEUROTENSIN ANTAGONIST, HYPOTENSIVE AGENTS AND FOR NEUROPSYCHIATRIC DISORDERS SANOFI (FR) 1998-03-03 US disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed