SCHEMBL11643201

SCHEMBL11643201

CC(N)C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TAAR1 Q96RJ0 2/20 0.54
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
S1PR3 Q99500 1/20 0.46
LTA4H P09960 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
XIAP P98170 2/20 0.44

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
SCHEMBL1748983 0.90 TAAR1 (0.64) MEN1KMT2ATAAR1MAPTRAB9A
SCHEMBL11643924 0.86 MAPT (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11691127 0.86 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11644745 0.86 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11643649 0.86 TAAR1 (0.69) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11644294 0.86 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL21306029 0.86 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11645266 0.84 MEN1 (0.55) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11644342 0.83 MEN1 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11648305 0.83 LMNA (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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