SCHEMBL9049929

SCHEMBL9049929

Cc1ccc(S(=O)(=O)N([C@H]2CCC(=O)C[C@@H]2c2ccc(Cl)nc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CHRNB2 P17787 7/20 0.36
▸ CHRNA4 P43681 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CHRNA7 P36544 5/20 0.34
▸ CHRNA3 P32297 3/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CHRND Q07001 1/20 0.34
▸ CHRNA2 Q15822 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8977326 1.00 MAPT (0.38) MAPTSMN1; SMN2CHRNB2CHRNA4ALDH1A1
SCHEMBL9050784 0.82 KDM1A (0.38) MAPTSMN1; SMN2CHRNB2CHRNA4ALDH1A1
SCHEMBL8977393 0.82 KDM1A (0.38) MAPTSMN1; SMN2CHRNB2CHRNA4ALDH1A1
SCHEMBL9053453 0.72 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNA3
SCHEMBL8977319 0.70 SMN1; SMN2 (0.33) MAPTSMN1; SMN2
SCHEMBL9050188 0.70 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNA3
SCHEMBL9047337 0.70 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNA3
SCHEMBL8795450 0.69 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNA3
SCHEMBL8795939 0.69 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNA3
SCHEMBL2408324 0.67 CHRNB2 (0.43) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNA3

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-0736534-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1996-10-09 — — EP disclosed
EP-0657456-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1995-06-14 — — EP disclosed
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