SCHEMBL30969271

SCHEMBL30969271

NC(=O)c1ccc(NC(=O)CN2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 5/20 0.68
THRB P10828 1/20 0.68
POLB P06746 3/20 0.67
MEN1 O00255 2/20 0.66
HTT P42858 2/20 0.66
KMT2A Q03164 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HPGD P15428 1/20 0.66
TP53 P04637 1/20 0.64
RAB9A P51151 1/20 0.64
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
RAD52 P43351 1/20 0.59
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL30969294 0.87 POLB (0.70) NPC1ALDH1A1KDM4EPOLBMEN1
SCHEMBL3216795 0.87 ATM (0.70) NPC1ALDH1A1KDM4EPOLBMEN1
SCHEMBL16900138 0.87 POLB (0.63) NPC1ALDH1A1KDM4ETHRBPOLB
Hydrochloric Acid SCHEMBL30969246 0.84 NPC1 (0.73) NPC1ALDH1A1KDM4ETHRBPOLB
SCHEMBL5925560 0.84 NPC1 (0.73) NPC1ALDH1A1KDM4ETHRBPOLB
SCHEMBL1409462 0.84 KDM4E (0.71) NPC1ALDH1A1KDM4ETHRBPOLB
SCHEMBL22407743 0.83 KDM4E (0.69) NPC1ALDH1A1KDM4ETHRBPOLB
SCHEMBL4777614 0.83 KDM4E (0.69) NPC1ALDH1A1KDM4ETHRBPOLB
SCHEMBL10210776 0.82 NPC1 (0.74) NPC1ALDH1A1KDM4ETHRBPOLB
SCHEMBL10917054 0.82 KDM4E (0.73) NPC1ALDH1A1KDM4ETHRBPOLB

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-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed