SCHEMBL31648407

SCHEMBL31648407

COc1ccccc1-c1cc2cnc(Cl)nc2cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 13/20 0.57
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL31648312 0.81 PIN1 (0.46) PIN1ALDH1A1SMN1; SMN2TDP1S1PR1
SCHEMBL31648288 0.80 PIN1 (0.44) PIN1ALDH1A1SMN1; SMN2TDP1S1PR1
SCHEMBL31648508 0.79 PIN1 (0.50) PIN1ALDH1A1SMN1; SMN2KDM4EFGFR1
SCHEMBL31648124 0.76 FGFR1 (0.39) PIN1ALDH1A1SMN1; SMN2S1PR1MEN1
SCHEMBL17670113 0.71 ALDH1A1 (0.54) ALDH1A1TDP1S1PR1MAPTHTT
SCHEMBL6425266 0.70 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TDP1S1PR1MEN1
SCHEMBL27350720 0.70 PIN1 (0.46) PIN1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL27337643 0.70 KDM4E (0.41) PIN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL28855933 0.70 PGK1 (0.47) PIN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL18181774 0.69 PIN1 (0.63) PIN1ALDH1A1SMN1; SMN2KDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133660-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
WO-2025132449-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
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