SCHEMBL28079169

SCHEMBL28079169

O=C(O)c1cnccc1CCI

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 18/20 0.46
KDM6B O15054 11/20 0.46
KDM4D Q6B0I6 6/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM4A O75164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.39
SIRT3 Q9NTG7 1/20 0.37
FOLH1 Q04609 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
SCHEMBL9858541 0.84 KDM4C (0.47) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL258369 0.82 KDM4C (0.51) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL11284708 0.82 FOLH1 (0.58) KDM4CKDM6BKDM4DKDM4EKDM4A
Hydrochloric Acid SCHEMBL5739434 0.81 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL3880004 0.79 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL123203 0.79 KDM4C (0.51) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL30465694 0.79 KDM4C (0.51) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL10751618 0.79 KDM4C (0.56) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL4005290 0.79 GABRP (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL6050524 0.78 KDM4C (0.54) KDM4CKDM6BKDM4DKDM4EKDM4A

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
CN-103420977-B There is the acetylene-derivative of anti-tumor activity 上海医药集团股份有限公司 2016-06-22 CN disclosed