SCHEMBL28964283

SCHEMBL28964283

N#CN=C(S)Nc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPK10 P53779 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.39
IDO1 P14902 1/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TGM2 P21980 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL17238089 0.98 ALDH1A1 (0.40) ALDH1A1TP53MAPK10MEN1KMT2A
SCHEMBL23930587 0.98 ALDH1A1 (0.40) ALDH1A1TP53MAPK10MEN1KMT2A
SCHEMBL5949813 0.81 SIGMAR1 (0.41) TP53IDO1
SCHEMBL5949807 0.81 SIGMAR1 (0.41) TP53IDO1
SCHEMBL19673833 0.81 ALDH1A1 (0.43) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL16014418 0.80 CNR1 (0.39) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL17238111 0.80 TDP1 (0.41) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL17238096 0.80 MAPT (0.45) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL21313128 0.79 ALDH1A1 (0.42) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL17238103 0.78 MEN1 (0.46) ALDH1A1MAPK10MEN1KMT2ALMNA

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
CN-115697979-A Substituted aminothiazoles as DGKZETA inhibitors for immune activation 拜耳公司 2023-02-03 CN disclosed