SCHEMBL29907686

SCHEMBL29907686

CN(C)c1ccc(F)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PGR P06401 3/20 0.38
APP P05067 2/20 0.36
TERT O14746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3165753 1.00 TRPV4 (0.39) TRPV4ARALDH1A1ALOX15TSHR
SCHEMBL4300509 0.84 TRPV4 (0.52) TRPV4ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL5017012 0.78 TSHR (0.45) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL931882 0.77 TRPV4 (0.34) TRPV4ARALDH1A1MAPTKDM4E
SCHEMBL29331393 0.77 MAPT (0.36) TRPV4ALDH1A1ALOX15TSHRMAPT
SCHEMBL29330206 0.76 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL20732874 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL13979471 0.76 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL10933249 0.76 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRHSD17B10MAPT
SCHEMBL29330383 0.74 ALDH1A1 (0.37) ALDH1A1ALOX15TSHRHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed