SCHEMBL6978112

SCHEMBL6978112

CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCc2ccc(C#N)cc2)n3C)cc1.Cn1c(CCc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PAX8 Q06710 3/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46
BRPF1 P55201 3/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45
BRD4 O60885 1/20 0.45
BRD1 O95696 1/20 0.45
BRD9 Q9H8M2 1/20 0.45

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
SCHEMBL6970167 0.97 SMN1; SMN2 (0.51) F2SMN1; SMN2PAX8ALDH1A1PKM
SCHEMBL6977191 0.93 F2 (0.55) F2SMN1; SMN2PAX8ALDH1A1PKM
SCHEMBL6978117 0.85 TSHR (0.43) F2ALDH1A1PKMPOLBBRPF1
SCHEMBL6637025 0.84 PAX8 (0.64) F2SMN1; SMN2PAX8ALDH1A1PKM
SCHEMBL8137693 0.81 F2 (0.56) F2SMN1; SMN2PAX8ALDH1A1PKM
SCHEMBL6637137 0.80 GAA (0.44) SMN1; SMN2PAX8ALDH1A1PKMPOLB
SCHEMBL6635412 0.79 F2 (0.46) F2SMN1; SMN2PAX8ALDH1A1PKM
SCHEMBL6486632 0.78 F2 (0.50) F2SMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6634682 0.77 LMNA (0.53) F2SMN1; SMN2PAX8ALDH1A1PKM
Hydrochloric Acid SCHEMBL7244675 0.77 F2 (0.49) F2SMN1; SMN2ALDH1A1RAB9AMEN1

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