SCHEMBL31078620

SCHEMBL31078620

NC(=O)c1sccc1OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
MTOR P42345 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL31078505 0.87 HTR1B (0.49) KMT2APOLBKDM4EALDH1A1MEN1
SCHEMBL31078661 0.78 ALDH1A1 (0.51) POLBKDM4EALDH1A1MAPTHTT
SCHEMBL3076860 0.75 KMT2A (0.46) KMT2APOLBKDM4ELMNAMEN1
SCHEMBL3989280 0.74 POLB (0.63) KMT2APOLBKDM4EALDH1A1MAOB
SCHEMBL3007594 0.73 GAA (0.71) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL8338047 0.72 ALDH1A1 (0.66) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL4897162 0.72 KDR (0.54) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL4708254 0.72 GAA (0.51) KMT2APOLBKDM4EALDH1A1MAPT
SCHEMBL2788543 0.72 CNR1 (0.72) POLBKDM4EMAOBCNR1CNR2
Hydrochloric Acid SCHEMBL14742324 0.72 GAA (0.70) KMT2AKDM4ELMNAALDH1A1MAPT

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