SCHEMBL21893418

SCHEMBL21893418

CCc1ncn2ccc(C)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.37
KLKB1 P03952 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
DNMT1 P26358 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL21358993 0.84 KLKB1 (0.34) KDM4EPOLBKLKB1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL21355066 0.83 KLKB1 (0.34) KDM4EPOLBKLKB1SMN1; SMN2NPC1
SCHEMBL20713625 0.81 GABRA1 (0.42) KLKB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL22278022 0.78 POLB (0.31) POLBMAPT
SCHEMBL17815221 0.77 CCR1 (0.37) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL21355405 0.77 KLKB1 (0.49) KDM4EPOLBKLKB1TDP1ALDH1A1
SCHEMBL11155397 0.74 DRD4 (0.40) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL20116289 0.74 CCR1 (0.34) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL24657617 0.71 TP53 (0.33) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20116290 0.71 TP53 (0.33) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed