SCHEMBL31392303

SCHEMBL31392303

C=CC1CN(c2nc(C)cc(C(=O)OCC)n2)CCC1(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RBP4 P02753 13/20 0.38
▸ POLB P06746 1/20 0.38
▸ TTR P02766 8/20 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
SCHEMBL31392223 0.90 RBP4 (0.48) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL31392199 0.86 RBP4 (0.48) RBP4TTR
SCHEMBL31392275 0.78 SORD (0.42) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL31392245 0.77 KDM4E (0.36) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL31392214 0.77 KDM4E (0.34) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL31392252 0.74 KDM4E (0.35) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL5211805 0.74 L3MBTL1 (0.53) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL31392291 0.72 TSHR (0.36) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL26870604 0.70 KIF18A (0.44) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL31392250 0.70 KDM4E (0.35) ALDH1A1HPGDMEN1KMT2AKDM4E

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-2025067239-A1 KINESIN KIF18A INHIBITOR, AND APPLICATION THEREOF 上海湃隆生物科技有限公司 2025-04-03 — — WO disclosed
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