SCHEMBL7784751

SCHEMBL7784751

Clc1ccc(-c2[nH]ccc2Sc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 5/20 0.47
CYP1A2 P05177 4/20 0.42
PDE7A Q13946 1/20 0.40
PDE7B Q9NP56 1/20 0.40
CHRNA7 P36544 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 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
SCHEMBL29546966 0.83 MAPK14 (0.44) CYP1A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7782884 0.72 MAPT (0.39) RHEBCYP1A2PDE7APDE7BTUBB4A
SCHEMBL10922675 0.71 CYP1A2 (0.50) CYP1A2PDE7APDE7BCHRNA7CYP2C9
SCHEMBL8665030 0.70 IKBKB (0.32) RHEBCYP1A2LMNAL3MBTL1
SCHEMBL18561707 0.70 CHRNA7 (0.64) CYP1A2PDE7APDE7BCHRNA7CYP2C9
SCHEMBL1931122 0.70 CHRNA7 (0.64) CYP1A2PDE7APDE7BCHRNA7CYP2C9
SCHEMBL10534271 0.69 CYP1A2 (0.71) CYP1A2CHRNA7CYP2C9MEN1KMT2A
Biphenyl SCHEMBL17985318 0.67 CYP1A2 (0.61) CYP1A2CHRNA7CYP2C9MEN1KMT2A
SCHEMBL3784717 0.66 PDE7A (0.59) RHEBPDE7APDE7BCHRNA7CYP2C9
SCHEMBL29242030 0.66 SLC6A4 (0.47) RHEBCYP1A2CHRNA7CYP2C9MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed
US-5817691-A Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP disclosed