SCHEMBL6983784

SCHEMBL6983784

Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(N(CCN3CCOCC3)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.48
CREBBP Q92793 5/20 0.41
BRD4 O60885 4/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
EP300 Q09472 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7670465 0.93 F2 (0.49) F2RAB9AKDM4EHSD17B10POLB
SCHEMBL7668884 0.91 F2 (0.59) F2CREBBPBRD4RAB9AKDM4E
SCHEMBL7667173 0.87 F2 (0.56) F2RAB9ALMNAHDAC1HDAC8
SCHEMBL6987103 0.84 F2 (0.53) F2CREBBPBRD4RAB9AKDM4E
SCHEMBL6974717 0.84 F2 (0.62) F2RAB9AKDM4EHSD17B10POLB
SCHEMBL6986249 0.84 F2 (0.61) F2RAB9AKDM4EHSD17B10POLB
SCHEMBL7673173 0.79 F2 (0.46) F2
SCHEMBL6967149 0.78 F2 (0.46) F2POLBLMNAHDAC1HDAC8
SCHEMBL6974208 0.77 BMP1 (0.45) F2RAB9AMAPT
SCHEMBL7664504 0.77 F2 (0.43) F2KDM4EHDAC1HDAC8

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-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 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