SCHEMBL11640682

SCHEMBL11640682

CCCCNC(=O)Nc1ccc([S+]([O-])c2ccccc2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 4/20 0.45
ALDH1A1 P00352 2/20 0.45
EPHX2 P34913 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
P2RY1 P47900 1/20 0.40
USP2 O75604 1/20 0.40
GHSR Q92847 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL11642064 0.91 POLB (0.50) POLBL3MBTL1HTTSMN1; SMN2EPHX1
SCHEMBL11647190 0.88 GAA (0.42) HTTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL11640137 0.85 PTGER4 (0.44) POLBL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL11648352 0.84 RAB9A (0.40) HTTEPHX1ALDH1A1EPHX2RAB9A
SCHEMBL11645788 0.82 CA1 (0.49) POLBHTTALDH1A1KDM4EHDAC3
SCHEMBL11646651 0.82 ALDH1A1 (0.46) POLBHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11644479 0.79 SMN1; SMN2 (0.49) HTTSMN1; SMN2EPHX1ALDH1A1EPHX2
SCHEMBL11642976 0.79 NPC1 (0.48) POLBSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL11638524 0.78 MDM4 (0.43) L3MBTL1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11642862 0.78 NPC1 (0.52) POLBL3MBTL1HTTSMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed