SCHEMBL11648279

SCHEMBL11648279

Cc1cc(C)cc(Sc2ccc(NC(=O)C(C)N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TAAR1 Q96RJ0 2/20 0.51
▸ MAPT P10636 5/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ XIAP P98170 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL11691127 0.89 MEN1 (0.56) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21306029 0.89 MEN1 (0.56) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11640638 0.87 TAAR1 (0.51) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11648065 0.85 MAPT (0.50) KMT2AMEN1TAAR1MAPTLMNA
SCHEMBL11646739 0.84 ALDH1A1 (0.60) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11644294 0.83 MEN1 (0.56) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11644745 0.83 MEN1 (0.56) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11643649 0.83 TAAR1 (0.69) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11645266 0.82 MEN1 (0.55) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL11643201 0.82 MEN1 (0.55) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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
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