SCHEMBL6974717

SCHEMBL6974717

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(CCN3CCCC3)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.62
POLB P06746 1/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6986249 0.99 F2 (0.61) F2POLBPAX8LMNASMN1; SMN2
SCHEMBL7668884 0.93 F2 (0.59) F2POLBPAX8LMNAKDM4E
SCHEMBL7670465 0.90 F2 (0.49) F2POLBPAX8LMNASMN1; SMN2
SCHEMBL7670676 0.89 F2 (0.69) F2LMNA
SCHEMBL6987739 0.88 F2 (0.62) F2
SCHEMBL6985103 0.87 F2 (0.66) F2
SCHEMBL6983757 0.87 F2 (0.63) F2
Hydrochloric Acid SCHEMBL6986105 0.87 F2 (0.62) F2
SCHEMBL6635670 0.86 F2 (0.74) F2
SCHEMBL6987103 0.86 F2 (0.53) F2LMNASMN1; SMN2KDM4EMAPT

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