SCHEMBL9153731

SCHEMBL9153731

CCCCCCCCOc1ccc(C(=N)OC)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ SMPD1 P17405 3/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLA2G4B P0C869 1/20 0.40

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
SCHEMBL6949740 0.84 PRMT1 (0.50) CYP2D6
Hydrochloric Acid SCHEMBL7083326 0.82 PRSS1 (0.51) CYP2D6
Hydrochloric Acid SCHEMBL6949761 0.82 PRSS1 (0.51) CYP2D6
SCHEMBL9578575 0.79 MAPT (0.69) MAPTTP53TSHRPLA2G4B
SCHEMBL6946501 0.79 MAPT (0.69) MAPTTP53TSHRPLA2G4B
SCHEMBL14125959 0.79 MAPT (0.69) MAPTTP53TSHRPLA2G4B
SCHEMBL4276906 0.79 MAPT (0.69) MAPTTP53TSHRPLA2G4B
SCHEMBL7548158 0.79 MAPT (0.69) MAPTTP53TSHRPLA2G4B
SCHEMBL7555804 0.78 MAPT (0.50) MAPTCYP3A4CYP2D6SMPD1TP53
SCHEMBL6953681 0.78 NNMT (0.59) MAPTCYP3A4TP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5443754-A Pyridylpyrimidines, a process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 — — US disclosed
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