SCHEMBL4742417

SCHEMBL4742417

[CH2]Cc1oc2ccccc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PGAM1 P18669 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL10238814 0.82 CYP2C19 (0.49) KDM4EKCNH2ALDH1A1MAPTHPGD
SCHEMBL2256874 0.80 KDM4E (0.46) KDM4EKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL1658639 0.80 KDM4E (0.42) KDM4EKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL5383786 0.80 KDM4E (0.42) KDM4EKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3752508 0.80 PLK1 (0.43) KDM4EKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL13654189 0.80 KDM4E (0.42) KDM4EKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL15436171 0.79 KCNH2 (0.39) KDM4EKCNH2ALDH1A1SMN1; SMN2MAPT
SCHEMBL793212 0.78 CYP2C9 (0.48) KDM4EKCNH2NPC1RAB9ACYP2C9
SCHEMBL20922749 0.77 KCNA3 (0.45) KDM4EKCNH2ALDH1A1MAPTCYP3A4
SCHEMBL5071044 0.77 KDM4E (0.43) KDM4EKCNH2ALDH1A1MAPTHPGD

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-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 — — WO disclosed
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