SCHEMBL14117658

SCHEMBL14117658

C=C/C=C(\C=C/C)CC1(O)CCN(C(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKLR P30613 4/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRA5 P31644 1/20 0.34

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
SCHEMBL16084040 0.77 KMT2A (0.39) ALDH1A1GAASMN1; SMN2LMNAKMT2A
SCHEMBL22878205 0.73 — —
SCHEMBL21976457 0.72 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL16051041 0.71 PKLR (0.58) CA12CA1CA2CA7CA9
SCHEMBL14320380 0.70 GRM3 (0.58) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL16084126 0.69 PKLR (0.46) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL16084138 0.69 PKLR (0.52) ALDH1A1GAASMN1; SMN2CA12CA1
SCHEMBL16049701 0.68 AVPR1A (0.58) ALDH1A1LMNAPKLRCHRM2CHRM3
SCHEMBL18053843 0.67 CA12 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL16083984 0.67 PKLR (0.53) ALDH1A1GAASMN1; SMN2CA12CA1

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
WO-2008079719-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2008-07-03 — — WO disclosed
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