SCHEMBL31380423

SCHEMBL31380423

FS(F)(F)(F)(F)c1ccc(CN[C@@H]2CCCc3cccnc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
CXCR4 P61073 12/20 0.44
CYP3A4 P08684 6/20 0.40
CYP2D6 P10635 6/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL13909820 0.90 HDAC1 (0.76) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL4887341 0.85 HDAC1 (0.69) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL4562865 0.85 HDAC1 (0.69) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL4065807 0.84 HDAC1 (0.68) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL21055028 0.84 HDAC1 (0.68) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL5575215 0.81 HDAC1 (0.65) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL4070374 0.81 HDAC1 (0.64) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL14037709 0.81 HDAC1 (0.64) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL4066161 0.80 HDAC1 (0.63) HDAC1HDAC6CXCR4CYP3A4CYP2D6
SCHEMBL30379489 0.79 HDAC1 (0.61) HDAC1HDAC6CXCR4CYP2D6P2RX7

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-119707931-A Intermediate and synthesis method of 1- (1-oxo-1, 2-dihydro-phthalazin-6-yl) cycloalkyl-1-carboxamide derivatives as MTA synergistic inhibitors of PRMT5 百济神州(北京)生物科技有限公司 2025-03-28 CN disclosed