SCHEMBL29484164

SCHEMBL29484164

NC(=O)NC(=S)NCC1CCCO1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
ALOX12 P18054 5/20 0.61
GLA P06280 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 2/20 0.61
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 1/20 0.57
LMNA P02545 2/20 0.56
RECQL P46063 1/20 0.55
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL4812101 0.83 SMN1; SMN2 (0.64) ALOX12SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL30223355 0.83 SMN1; SMN2 (0.64) ALOX12SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL30223215 0.83 SMN1; SMN2 (0.64) ALOX12SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL1962256 0.80 KMT2A (0.60) ALDH1A1ALOX12SMN1; SMN2RAB9AKMT2A
SCHEMBL3130690 0.80 KMT2A (0.60) ALDH1A1ALOX12SMN1; SMN2RAB9AKMT2A
SCHEMBL24575950 0.76 HPGD (0.72) ALOX12SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL5674448 0.76 SMN1; SMN2 (0.68) ALOX12SMN1; SMN2KMT2ACYP2C9CYP2C19
SCHEMBL13973608 0.76 KMT2A (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL10341246 0.74 KMT2A (0.62) ALDH1A1ALOX12GLASMN1; SMN2RAB9A
SCHEMBL4420466 0.74 SMN1; SMN2 (0.66) ALDH1A1ALOX12SMN1; SMN2RAB9ANPC1

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
WO-2022055940-A1 VISTA INHIBITORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-03-17 WO disclosed