SCHEMBL24426581

SCHEMBL24426581

CC#Cc1cc(C)c(C2=C(OC)CC3(CCN(C(=O)CC#N)CC3)CC2=O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 6/20 0.34
JAK1 P23458 5/20 0.34
MAPK1 P28482 2/20 0.33
JAK3 P52333 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL21344756 0.92 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL21344717 0.92 KDM4E (0.34) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL24092256 0.86 CYP2D6 (0.34) ALDH1A1MEN1KMT2AMAPK1CYP3A4
SCHEMBL24426494 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL22345592 0.82 GPR183 (0.41)
SCHEMBL21344867 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1CYP3A4CYP2C19HSD17B10
SCHEMBL29695286 0.81 SMN1; SMN2 (0.34) ALDH1A1KDM4EKMT2AL3MBTL1MAPK1
SCHEMBL21344868 0.81 MAPK1 (0.39) ALDH1A1MAPK1CYP3A4CYP2C19HSD17B10
SCHEMBL24426556 0.81
SCHEMBL21285244 0.80 YAP1 (0.32) ALDH1A1

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-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed