SCHEMBL11768287

SCHEMBL11768287

CNC(=O)Nc1cc(Cl)c(Sc2ccc(C(C)(C)C)cc2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ EPHX2 P34913 3/20 0.40
▸ NR1H4 Q96RI1 3/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11766260 0.88 MAPT (0.55) MAPTALDH1A1MEN1KMT2AEPHX2
SCHEMBL11772194 0.86 ALDH1A1 (0.58) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11772240 0.84 ALDH1A1 (0.44) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11772347 0.83 LMNA (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11767622 0.82 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11772761 0.81 KMT2A (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11767547 0.81 MAPT (0.47) MAPTALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL11768807 0.80 MEN1 (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11775687 0.79 KMT2A (0.48) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL11770271 0.76 MAPT (0.52) MAPTALDH1A1MEN1KMT2AEPHX2

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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