SCHEMBL31148165

SCHEMBL31148165

O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.53
PFKFB2 O60825 3/20 0.53
PFKFB1 P16118 3/20 0.53
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA2B P08514 1/20 0.49
SCN3A Q9NY46 2/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL23373313 1.00 PFKFB3 (0.53) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
Hydrochloric Acid SCHEMBL31148145 0.99 PFKFB3 (0.52) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
Hydrochloric Acid SCHEMBL31148193 0.99 PFKFB3 (0.52) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
Hydrochloric Acid SCHEMBL31148182 0.99 PFKFB3 (0.52) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
SCHEMBL31148274 0.97 KMT2A (0.51) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
SCHEMBL31148228 0.97 KMT2A (0.51) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
Hydrochloric Acid SCHEMBL31148158 0.96 KMT2A (0.50) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
Hydrochloric Acid SCHEMBL31148291 0.96 KMT2A (0.50) PFKFB3PFKFB2PFKFB1ALDH1A1HTT
SCHEMBL23373335 0.87 PFKFB3 (0.53) PFKFB3PFKFB2PFKFB1ALDH1A1HPGD
SCHEMBL23373378 0.87 PFKFB3 (0.61) PFKFB3PFKFB2PFKFB1NPC1HPGD

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
EP-4695236-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE Soley Therapeutics, Inc. (US) 2026-02-18 EP disclosed
WO-2024216094-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed