SCHEMBL21741607

SCHEMBL21741607

CCCc1ccc(-n2c(CC)nc3c(C)nc(C)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.57
MGLL Q99685 1/20 0.35
GPR4 P46093 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
FAAH O00519 1/20 0.33
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
CACNA2D1 P54289 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
APOBEC3G Q9HC16 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
SCHEMBL1626358 0.90 PTGER4 (0.55) PTGER4GPR4MEN1KMT2ACYP1A2
SCHEMBL30224999 0.90 PTGER4 (0.55) PTGER4GPR4MEN1KMT2ACYP1A2
SCHEMBL1624672 0.90 PTGER4 (0.55) PTGER4GPR4MEN1KMT2AFAAH
SCHEMBL30513699 0.90 PTGER4 (0.57) PTGER4GPR4MEN1KMT2AFAAH
SCHEMBL1624736 0.90 PTGER4 (0.57) PTGER4GPR4MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL1999779 0.88 PTGER4 (0.54) PTGER4GPR4MEN1KMT2ACYP1A2
SCHEMBL23876875 0.87 PTGER4 (0.51) PTGER4MEN1KMT2ACYP1A2CYP2D6
SCHEMBL21741601 0.87 PTGER4 (0.61) PTGER4GPR4ALDH1A1CYP1A2ATM
SCHEMBL3946713 0.86 PTGER4 (0.52) PTGER4GPR4MEN1KMT2AGRM5
SCHEMBL23876632 0.84 PTGER4 (0.60) PTGER4GPR4MEN1KMT2AFAAH

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-2020014465-A9 POLYMORPHIC COMPOUNDS AND USES THEREOF Arrys Therapeutics, Inc. (US) 2020-02-20 WO disclosed