SCHEMBL31344259

SCHEMBL31344259

COc1cc(COc2ccc3ccc4cccc5ccc2c3c45)c([N+](=O)[O-])cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 4/20 0.44
▸ CYP2C19 P33261 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40

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
SCHEMBL26963417 0.75 ACHE (0.46) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL9049534 0.74 RAB9A (0.42) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL31344265 0.74 P2RX7 (0.41) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL31344272 0.73 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL4638588 0.72 NPC1 (0.47) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL12978933 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL5058658 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP2C19CYP1A2
SCHEMBL5839209 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL26963414 0.71 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL2350911 0.71 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACYP2C19CYP1A2

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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