SCHEMBL22479639

SCHEMBL22479639

Cc1ccc(Cc2cc(F)cc(Cl)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
DAO P14920 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
P2RX7 Q99572 1/20 0.33
TSHR P16473 1/20 0.33
NTRK1 P04629 1/20 0.33
WDR5 P61964 1/20 0.33
GRM2 Q14416 1/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21384154 0.81 GABRP (0.39) GPR52CYP11B1CYP11B2DAO
SCHEMBL29442862 0.81 GABRP (0.39) GPR52CYP11B1CYP11B2DAO
SCHEMBL755263 0.78 GRM2 (0.42) CYP11B1CYP11B2LMNAMEN1KMT2A
SCHEMBL21395199 0.78 TAAR1 (0.45) LMNAKDM4E
SCHEMBL21394846 0.78 TAAR1 (0.45) CYP11B1CYP11B2SMN1; SMN2P2RX7KDM4E
SCHEMBL12885845 0.77 KCNQ3 (0.43) CYP11B1CYP11B2SMN1; SMN2GAATSHR
SCHEMBL21395212 0.77 P4HTM (0.49) GPR52DAOLMNAMEN1KMT2A
SCHEMBL21384012 0.76 PARP1 (0.45) GPR52MEN1KMT2AKDM4E
Lithium Ion SCHEMBL21384056 0.75 SNCA (0.40) GPR52DAOP2RX7
SCHEMBL28671700 0.71 GPR52 (0.33) GPR52DAO

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed