SCHEMBL6987103

SCHEMBL6987103

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(CCN3CCOCC3)S(=O)(=O)c3ccc4ccccc4c3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.53
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7668884 0.93 F2 (0.59) F2LMNARAB9AKDM4EHSD17B10
SCHEMBL6986197 0.86 F2 (0.56) F2ALDH1A1
SCHEMBL6974717 0.86 F2 (0.62) F2LMNASMN1; SMN2RAB9AKDM4E
SCHEMBL6986249 0.85 F2 (0.61) F2LMNASMN1; SMN2RAB9AKDM4E
SCHEMBL6983784 0.84 F2 (0.48) F2LMNARAB9AKDM4EHSD17B10
SCHEMBL6986674 0.84 F2 (0.61) F2F10F7
SCHEMBL7396594 0.82 F2 (0.58) F2MMP13
SCHEMBL6985965 0.82 F2 (0.57) F2ALDH1A1F10
SCHEMBL7670676 0.79 F2 (0.69) F2LMNA
Hydrochloric Acid SCHEMBL6964830 0.79 F2 (0.51) F2ALDH1A1

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