SCHEMBL30964006

SCHEMBL30964006

NC(=O)Nc1cccc2[nH]ncc12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
HTT P42858 2/20 0.62
RAB9A P51151 2/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
DHPS P49366 1/20 0.59
TRPV1 Q8NER1 13/20 0.57
CLK4 Q9HAZ1 1/20 0.55
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55

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
SCHEMBL1853888 1.00 NPC1 (0.62) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL15546532 0.85 NPC1 (0.63) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL11735958 0.84 ALDH1A1 (0.61) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL21894632 0.84 GAA (0.64) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL17739081 0.83 NPC1 (0.78) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL20442319 0.82 TRPV1 (0.62) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL20442321 0.82 TRPV1 (0.70) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL11949095 0.81 TRPV1 (0.62) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL23721294 0.80 POLB (0.59) NPC1HTTRAB9ALMNACYP1A2
SCHEMBL6531158 0.80 TRPV1 (0.64) NPC1HTTRAB9ALMNACYP1A2

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
US-12403139-B2 Methods and compositions for prevention and treatment of cardiac hypertrophy UNIVERSITY OF HAWAII (US) 2025-09-02 US disclosed
US-20240189303-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII 2024-06-13 US disclosed