SCHEMBL31472382

SCHEMBL31472382

COC(=O)c1ccc(OC)c(C2COCCCN2c2cc(C)nc(N)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
F10 P00742 1/20 0.37
MTOR P42345 4/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MGLL Q99685 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL29456319 1.00 CRHBP (0.37) CRHBPCRHR2F10MTORGLA
SCHEMBL21491203 1.00 CRHBP (0.37) CRHBPCRHR2F10MTORGLA
SCHEMBL31472363 1.00 CRHBP (0.37) CRHBPCRHR2F10MTORGLA
SCHEMBL21516870 0.93 CRHBP (0.37) CRHBPCRHR2F10MTORGLA
SCHEMBL21491419 0.92 CRHBP (0.38) CRHBPCRHR2F10MTORKMT2A
SCHEMBL21491307 0.91 F10 (0.39) CRHBPCRHR2F10MTORKMT2A
SCHEMBL21491309 0.91 F10 (0.39) CRHBPCRHR2F10MTORKMT2A
SCHEMBL30952543 0.91 F10 (0.39) CRHBPCRHR2F10MTORKMT2A
SCHEMBL31472407 0.91 F10 (0.39) CRHBPCRHR2F10MTORKMT2A
SCHEMBL21491448 0.91 F10 (0.39) CRHBPCRHR2F10MTORKMT2A

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-112236428-B Antiproliferative compounds and uses thereof 默克专利股份有限公司 2025-04-01 CN disclosed