SCHEMBL20080197

SCHEMBL20080197

CCOc1ccc2c(c1)C=C[C@H](C#N)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 1/20 0.35
CCL2 P13500 1/20 0.35
NQO1 P15559 1/20 0.35
MAPT P10636 5/20 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
SCHEMBL5909166 0.66 NQO1 (0.41) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL7085314 0.65 ALDH1A1 (0.55) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL24509435 0.63 SMN1; SMN2 (0.33) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL12950250 0.62 CHRNB2 (0.41) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL14037484 0.62 SNCA (0.40) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL6984818 0.60 ALDH1A1 (0.40) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL11843714 0.60 MAOB (0.59) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL11354051 0.60 CHRNB2 (0.45) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL29629327 0.59 NQO1 (0.68) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL3825385 0.59 NQO1 (0.68) ALDH1A1HSD17B10MEN1KMT2AKDM4E

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-3312292-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS Promega Corporation (US) 2018-04-25 EP disclosed