SCHEMBL9527810

SCHEMBL9527810

CCCC(CNc1nc(C)c(OC(=O)c2ccccc2)c(C)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9527618 0.93 PKM (0.38) PKMMAPK1KMT2ALMNAALDH1A1
SCHEMBL9527715 0.87 MAPT (0.35) KMT2ALMNAALDH1A1RAB9ANPSR1
SCHEMBL9529753 0.87 CHRNB2 (0.39) PKMKMT2AALDH1A1RAB9ATSHR
Diethylamine SCHEMBL9527582 0.85 RAB9A (0.37) PKMMAPK1KMT2AALDH1A1RAB9A
SCHEMBL9530047 0.84 MAPT (0.34) PKMKMT2AALDH1A1RAB9ANPSR1
SCHEMBL9528551 0.83 POLB (0.38) LMNAALDH1A1RAB9ANPSR1POLB
SCHEMBL10367949 0.83 METAP1 (0.35) KMT2ALMNAALDH1A1TSHRMAPT
SCHEMBL9528699 0.83 HTT (0.39) MAPK1KMT2AALDH1A1RAB9ANPSR1
SCHEMBL9528238 0.82 POLB (0.37) KMT2ALMNAALDH1A1RAB9ANPSR1
Phosphoric Acid SCHEMBL10367955 0.82 GAA (0.36) KMT2ALMNARAB9ANPSR1MAPT

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
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP claimed
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