SCHEMBL18873804

SCHEMBL18873804

Cc1cc(-c2ccccc2)cc(C)c1C1=C(OC(=O)c2c(C)noc2C)c2c(c3ccc2o3)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 2/20 0.36
BRD4 O60885 3/20 0.36
MAPT P10636 1/20 0.36
BRD2 P25440 1/20 0.35
CREBBP Q92793 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL18874241 0.81 KDM4E (0.42) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL18873777 0.78 ELANE (0.36) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL18873883 0.78 KDM4E (0.35) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL6727428 0.73 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1POLBCYP2D6
SCHEMBL18873805 0.73 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1POLBCYP2D6
SCHEMBL18874331 0.72 ERAP1 (0.40) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL18874005 0.63 MAOB (0.40) ALDH1A1KMT2APOLBTP53MAPT
SCHEMBL1323891 0.59 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBCYP2D6
SCHEMBL23657488 0.59 KMT2A (0.67) ALDH1A1KMT2AMEN1TP53GAA
SCHEMBL18874381 0.58 BRD4 (0.37) ALDH1A1CYP2C9CYP2C19TP53BRD4

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-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed