SCHEMBL31330799

SCHEMBL31330799

Nc1cnc(N2CCN(C(=O)OCc3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
TRPA1 O75762 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
TGM2 P21980 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
F13A1 P00488 1/20 0.45
TGM1 P22735 1/20 0.45
HSD11B1 P28845 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC29A1 Q99808 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
RBP4 P02753 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL2418264 0.88 TRPA1 (0.46) HDAC1TRPA1MEN1KMT2ASMN1; SMN2
SCHEMBL31330789 0.88 TRPA1 (0.46) HDAC1TRPA1MEN1KMT2ASMN1; SMN2
SCHEMBL2418947 0.84 TGM2 (0.49) HDAC1TRPA1MEN1KMT2ASMN1; SMN2
SCHEMBL31330768 0.82 F13A1 (0.43) HDAC1TRPA1MEN1KMT2ATGM2
SCHEMBL31330679 0.82 F13A1 (0.43) HDAC1TRPA1MEN1KMT2ATGM2
SCHEMBL31330918 0.79 TRPA1 (0.41) HDAC1TRPA1MEN1KMT2ASMN1; SMN2
SCHEMBL31639750 0.78 KIT (0.46) TRPA1MEN1KMT2ATRPV1RBP4
SCHEMBL13981711 0.77 HDAC1 (0.67) HDAC1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL4933317 0.76 NR1H2 (0.55) MEN1KMT2ASMN1; SMN2CYP2C19TGM2
SCHEMBL8921825 0.75 HDAC1 (0.58) HDAC1MEN1KMT2ASMN1; SMN2CYP2C19

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-2025011623-A1 CYANOQUINOLINE-TARGETING PROTEIN DEGRADATION MOLECULE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海壹迪生物技术有限公司 2025-01-16 WO disclosed