SCHEMBL31078433

SCHEMBL31078433

O=C(Nc1nccs1)C1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 1/20 0.53
PBK Q96KB5 1/20 0.51
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.47

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
Hydrochloric Acid SCHEMBL1761032 0.99 NPC1 (0.53) NPC1KDM4EPBKTSHRMEN1
Hydrochloric Acid SCHEMBL21640445 0.84 NPC1 (0.57) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL17404960 0.84 NPC1 (0.68) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL18394945 0.82 NPC1 (0.63) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL8013302 0.82 NPC1 (0.67) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL29541828 0.82 PBK (0.45) NPC1KDM4EPBKTSHRKMT2A
SCHEMBL2654124 0.80 NPC1 (0.77) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL3005160 0.77 KDM4E (0.56) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL3005169 0.77 KDM4E (0.56) NPC1KDM4ETSHRMEN1KMT2A
SCHEMBL2606462 0.76 MEN1 (0.49) NPC1KDM4ETSHRMEN1KMT2A

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-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed