SCHEMBL6977907

SCHEMBL6977907

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.68
PAX8 Q06710 4/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 4/20 0.59
PKM P14618 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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 0.83 PAX8 (0.64) F2PAX8POLBLMNAPKM
SCHEMBL8166575 0.81 F2 (1.00) F2PAX8POLBLMNAPKM
SCHEMBL7667173 0.81 F2 (0.56) F2LMNAPKMALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8016790 0.80 F2 (0.98) F2PAX8POLBLMNAPKM
SCHEMBL7243857 0.80 F2 (0.54) F2ALDH1A1SMN1; SMN2THRBRAB9A
SCHEMBL6977191 0.80 F2 (0.55) F2PAX8POLBLMNAPKM
SCHEMBL7670672 0.77 F2 (0.73) F2PAX8POLBLMNAPKM
SCHEMBL6635661 0.76 F2 (0.68) F2PAX8POLBLMNAPKM
SCHEMBL7670465 0.75 F2 (0.49) F2PAX8POLBLMNAALDH1A1
SCHEMBL8027058 0.75 F2 (0.70) F2PAX8POLBLMNAPKM

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