SCHEMBL6983099

SCHEMBL6983099

CCOCCCn1c(-c2ccc(CC#N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PAX8 Q06710 2/20 0.41
POLB P06746 1/20 0.41
PTGER4 P35408 1/20 0.41
PIN1 Q13526 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
AGTR2 P50052 1/20 0.40
TRIM24 O15164 1/20 0.39
NR1I2 O75469 2/20 0.39
BRPF1 P55201 1/20 0.39
USP2 O75604 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 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
SCHEMBL6980052 0.80 F2 (0.50) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL6986071 0.79 KDM4E (0.50) KDM4EPTGER4HPGDHSD17B10
SCHEMBL6985924 0.77 CNR2 (0.45) KDM4ESMN1; SMN2PIN1LMNAPKM
SCHEMBL8143300 0.72 F2 (0.58) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8026550 0.70 F2 (0.73) F2KDM4ESMN1; SMN2PAX8POLB
SCHEMBL8017541 0.70 F2 (0.72) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8028279 0.70 F2 (0.59) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL8029744 0.69 F2 (0.60) F2SMN1; SMN2PAX8POLBLMNA
SCHEMBL4969422 0.68 F2 (0.50) F2KDM4ESMN1; SMN2PAX8POLB
SCHEMBL8032284 0.67 F2 (0.60) F2SMN1; SMN2PAX8POLBLMNA

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