SCHEMBL31344352

SCHEMBL31344352

COc1cc(COc2cc(S(=O)(=O)OCC(F)(F)F)c3ccc4c(S(=O)(=O)OCC(F)(F)F)cc(S(=O)(=O)OCC(F)(F)F)c5ccc2c3c54)c([N+](=O)[O-])cc1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 7/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL9049534 0.84 RAB9A (0.42) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL31344265 0.84 P2RX7 (0.41) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL31344272 0.83 SMN1; SMN2 (0.42) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL28701077 0.73 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2CYP2C19MEN1
SCHEMBL31344259 0.70 ALDH1A1 (0.45) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL9051614 0.69 ALDH1A1 (0.43) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL29236491 0.67 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2CYP2C19MEN1
SCHEMBL31344264 0.67 CA1 (0.37) —
SCHEMBL5058658 0.66 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2CYP2C19MEN1
SCHEMBL12978933 0.66 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2CYP2C19MEN1

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-2025021994-A1 NEW PHOTOCLEAVABLE PYRANINE DERIVATIVES, THEIR METHOD OF PREPARATION AND THEIR USES PARIS SCIENCES ET LETTRES (FR) 2025-01-30 — — WO disclosed
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