SCHEMBL31344272

SCHEMBL31344272

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP2C19 P33261 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 9/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38

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 0.99 RAB9A (0.42) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31344265 0.88 P2RX7 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31344352 0.83 CHEK1 (0.38) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL9051614 0.82 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL593622 0.76 KMT2A (0.48) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL150692 0.74 KMT2A (0.49) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL29351257 0.74 KMT2A (0.49) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL29460983 0.74 KMT2A (0.49) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL31344259 0.73 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL11744939 0.73 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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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