SCHEMBL8618237

SCHEMBL8618237

NC(=Nc1ccccc1)NC(=O)c1ccnc2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SCNN1A P37088 1/20 0.41
PREP P48147 1/20 0.40
PKM P14618 1/20 0.40
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
STAT6 P42226 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8615213 0.87 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8615943 0.87 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8617741 0.86 SCN2A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8619393 0.86 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8616502 0.84 KDM4E (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8616316 0.83 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8612684 0.83 CSF1R (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8614933 0.83 EGFR (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8614015 0.82 ADRA2A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A
SCHEMBL8619044 0.81 CTSV (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1SCNN1A

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
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed