SCHEMBL11772153

SCHEMBL11772153

CNC(=O)Nc1ccc(Sc2c(C)cc(C)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 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
SCHEMBL11769655 0.84 MEN1 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL11772010 0.82 TNIK (0.44) ALDH1A1SMN1; SMN2MAPTJAK2KMT2A
SCHEMBL11770941 0.82 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL11769086 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11766860 0.81 LMNA (0.49) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL11768883 0.76 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTHPGDPKM
SCHEMBL16866541 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL11775614 0.76 USP2 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL11768329 0.74 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL172125 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3970752-A Coccidiocidal compositions utilizing 1-phenyl-substituted 1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 — — US disclosed
US-3948893-A COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 — — US disclosed
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