SCHEMBL9049534

SCHEMBL9049534

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL31344272 0.99 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL31344265 0.89 P2RX7 (0.41) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL31344352 0.84 CHEK1 (0.38) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL9051614 0.83 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL150692 0.75 KMT2A (0.49) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL29460983 0.75 KMT2A (0.49) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL29351257 0.75 KMT2A (0.49) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4
SCHEMBL31344259 0.74 ALDH1A1 (0.45) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL11744939 0.74 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL593622 0.74 KMT2A (0.48) SMN1; SMN2CYP2C19MEN1KMT2ACYP3A4

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
US-5514710-A Photocleavable derivatives of hydroxyprenesulfonic acids MOLECULAR PROBES, INC. (US) 1996-05-07 — — US disclosed
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