SCHEMBL14626638

SCHEMBL14626638

CC(=O)Cc1ccc(/C=C/c2cn(C)c3cc(F)ccc23)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ ACTR2 P61160 1/20 0.35
▸ CCR2 P41597 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 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
SCHEMBL14591784 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14591775 0.80 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14626859 0.80 PTGER3 (0.39) CCR2SLC22A12
SCHEMBL14626852 0.78 IDO1 (0.36) MEN1KMT2APOLBIDO1TDO2
SCHEMBL14627047 0.76 ITGB1 (0.45) MEN1KMT2APOLBRAB9AIDO1
SCHEMBL14626862 0.73 MAPT (0.49) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14626706 0.71 ITGB1 (0.57) IDO1TDO2HDAC6
SCHEMBL14626864 0.70 MAPT (0.53) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14626964 0.70 MAPT (0.47) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL14626858 0.69 ITGB1 (0.45) MEN1KMT2APOLBRAB9AMAPT

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
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