SCHEMBL11643176

SCHEMBL11643176

CCCCc1ccc(Sc2ccc(NC(=O)CN)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.57
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOD2 Q9HC29 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL11645169 0.89 MTNR1A (0.53) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11641001 0.89 POLB (0.51) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11645109 0.85 RAB9A (0.54) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL11640331 0.83 POLB (0.65) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11643862 0.82 CA2 (0.64) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL17874906 0.82 POLB (0.61) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11638343 0.81 POLB (0.62) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11644855 0.81 SPHK1 (0.60) POLBNPC1RAB9ASMN1; SMN2SPHK1
SCHEMBL9312715 0.80 POLB (0.84) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL9429642 0.79 POLB (1.00) POLBNPC1RAB9AHPGDSMN1; 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 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