SCHEMBL6982827

SCHEMBL6982827

CN(C)c1ccc(CNc2ccc3c(c2)nc(CCc2ccc(C#N)cc2)n3C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
HTT P42858 6/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
GFER P55789 2/20 0.53
KDM4E B2RXH2 8/20 0.51
TP53 P04637 4/20 0.51
GAA P10253 6/20 0.50
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
HSD17B10 Q99714 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 1/20 0.41
NOS1 P29475 1/20 0.40
PKM P14618 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL7113060 0.86 RAB9A (0.48) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL6159720 0.82 ITK (0.46) ALDH1A1TP53GAARAB9ANPC1
SCHEMBL6159112 0.82 NPC1 (0.41) ALDH1A1MAPTKMT2AKDM4ETP53
SCHEMBL6159451 0.80 NPC1 (0.42) ALDH1A1MAPTHTTKMT2ATDP1
SCHEMBL6634682 0.78 LMNA (0.53) ALDH1A1HTTKMT2ALMNATP53
SCHEMBL7249869 0.77 F2 (0.49) KMT2ALMNA
SCHEMBL6157976 0.75 NPC1 (0.59) KDM4EGAARAB9ANPC1SMN1; SMN2
SCHEMBL7115133 0.75 ITK (0.47) KMT2AMEN1
SCHEMBL7123442 0.74 HDAC1 (0.46) HTTNTRK1NTRK2
SCHEMBL6158462 0.74 NTRK1 (0.52) ALDH1A1KDM4ETP53GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed