SCHEMBL6977191

SCHEMBL6977191

Cn1c(CCc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.55
PAX8 Q06710 4/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 4/20 0.51
BRPF1 P55201 4/20 0.50
BRD4 O60885 2/20 0.50
BRD1 O95696 2/20 0.50
BRD9 Q9H8M2 2/20 0.50
BRPF3 Q9ULD4 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.50
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BRD7 Q9NPI1 1/20 0.48

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
SCHEMBL6978112 0.93 F2 (0.49) F2PAX8POLBALDH1A1PKM
SCHEMBL6637025 0.90 PAX8 (0.64) F2PAX8POLBALDH1A1PKM
SCHEMBL6970167 0.89 SMN1; SMN2 (0.51) F2PAX8POLBALDH1A1PKM
SCHEMBL6486632 0.84 F2 (0.50) F2ALDH1A1BRD4THRBRAB9A
SCHEMBL6634682 0.83 LMNA (0.53) F2PAX8POLBALDH1A1PKM
Hydrochloric Acid SCHEMBL7244675 0.83 F2 (0.49) F2ALDH1A1BRD4THRBRAB9A
SCHEMBL8027058 0.82 F2 (0.70) F2PAX8POLBALDH1A1PKM
SCHEMBL6977907 0.80 F2 (0.68) F2PAX8POLBALDH1A1PKM
SCHEMBL6159720 0.78 ITK (0.46) ALDH1A1BRD4TP53RAB9ASMN1; SMN2
SCHEMBL6475543 0.77 KDM4E (0.48) F2LMNARAB9ASMN1; SMN2

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-1220845-B1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-08-13 EP disclosed
US-6413990-B1 ANTIINFLAMMATORY AGENTS, ANTIALLERGENS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed