SCHEMBL6980052

SCHEMBL6980052

CCOCCCn1c(CCc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.50
PAX8 Q06710 2/20 0.46
POLB P06746 1/20 0.46
BRPF1 P55201 5/20 0.46
LMNA P02545 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
ITK Q08881 1/20 0.42
BRD4 O60885 3/20 0.42
BRD1 O95696 3/20 0.42
BRPF3 Q9ULD4 3/20 0.42
BRD9 Q9H8M2 2/20 0.42
NR1I2 O75469 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
BRD7 Q9NPI1 1/20 0.41
CREBBP Q92793 1/20 0.40
AR P10275 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
SCHEMBL6637025 0.84 PAX8 (0.64) F2PAX8POLBBRPF1LMNA
SCHEMBL8017541 0.81 F2 (0.72) F2PAX8POLBBRPF1LMNA
SCHEMBL8143300 0.81 F2 (0.58) F2PAX8POLBBRPF1LMNA
SCHEMBL8026550 0.80 F2 (0.73) F2PAX8POLBBRPF1LMNA
SCHEMBL6983099 0.80 F2 (0.47) F2PAX8POLBBRPF1LMNA
SCHEMBL6985404 0.80 HDAC1 (0.40) F2POLBITKBRD4HDAC1
SCHEMBL8028279 0.79 F2 (0.59) F2PAX8POLBBRPF1LMNA
SCHEMBL6985921 0.78 F2 (0.46) F2PAX8POLBBRPF1LMNA
Hydrochloric Acid SCHEMBL7675417 0.78 F2 (0.46) F2PAX8POLBBRPF1LMNA
SCHEMBL8032284 0.78 F2 (0.60) F2PAX8POLBBRPF1LMNA

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