SCHEMBL31344265

SCHEMBL31344265

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ALDH1A1 P00352 8/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36

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 0.89 RAB9A (0.42) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL31344272 0.88 SMN1; SMN2 (0.42) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL31344352 0.84 CHEK1 (0.38) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL31344259 0.74 ALDH1A1 (0.45) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL8542441 0.74 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9051614 0.73 ALDH1A1 (0.43) P2RX7NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL9614432 0.71 TRPV4 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6524012 0.70 TRPV4 (0.47) MEN1KMT2ACYP3A4ALDH1A1KDM4E
SCHEMBL5058658 0.70 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2CYP2C19MEN1
SCHEMBL12978933 0.70 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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