SCHEMBL7811229

SCHEMBL7811229

CSc1nc(Cl)c(-c2ccc(C)cc2)c(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
KMT2A Q03164 2/20 0.58
CYP2C9 P11712 2/20 0.58
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
PTBP1 P26599 1/20 0.50
HTT P42858 1/20 0.50
TNFSF10 P50591 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.41
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL7699598 0.86 KDM4E (0.49) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL4844072 0.82 KDM4E (0.49) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL7818543 0.77 CYP1A2 (0.46) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL7699109 0.75 CYP1A2 (0.50) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL27409908 0.75 CYP1A2 (0.49) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL8659206 0.74 ALDH1A1 (0.41) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL5179425 0.74 RXFP1 (0.42) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL8961804 0.74 RAB9A (0.69) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL5592998 0.72 MAPT (0.52) CYP1A2CYP2C19KMT2ACYP2C9RAB9A
SCHEMBL8660654 0.72 LMNA (0.58) CYP1A2CYP2C19KMT2ACYP2C9RAB9A

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-0743307-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2001-09-12 EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 EP disclosed