SCHEMBL9850104

SCHEMBL9850104

CCCCCCCCCCCCc1c(Cl)nc(-c2ccc(CCCCCCCCCC)cc2)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ RARB P10826 5/20 0.49
▸ RARA P10276 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ HSD11B1 P28845 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46

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
SCHEMBL10606383 0.86 GCGR (0.49) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10917411 0.86 HSD11B1 (0.52) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL8405040 0.86 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL8405038 0.86 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL12622274 0.85 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL10559262 0.85 RARB (0.54) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL29116868 0.84 GCGR (0.48) MAPTRAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL3621133 0.84 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL9637569 0.84 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL12622306 0.83 ALDH1A1 (0.63) ALDH1A1MAPTHSD17B10MEN1KMT2A

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-0454157-A1 Alkylphenylalkylpyrimidine compound and liquid crystal composition containing the same Chisso Corporation (JP) 1991-10-30 — — EP disclosed
Send feedback