SCHEMBL31078638

SCHEMBL31078638

CC(C)(N)COc1ccsc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 4/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 6/20 0.43
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCAT2 O15382 1/20 0.39
GAA P10253 3/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
IKBKB O14920 2/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1379773 0.81 KMT2A (0.68) KMT2AL3MBTL1RAB9AMEN1CYP1A2
SCHEMBL4698700 0.75 IKBKB (0.46) KMT2AMEN1CYP1A2ALDH1A1PKM
SCHEMBL16336026 0.75 L3MBTL1 (0.61) KMT2AL3MBTL1RAB9AMEN1CYP1A2
SCHEMBL14342685 0.73 BCAT2 (0.47) KMT2AL3MBTL1MEN1CYP1A2ALDH1A1
SCHEMBL3824969 0.73 MEN1 (0.59) KMT2AL3MBTL1RAB9AMEN1ALDH1A1
SCHEMBL31078505 0.71 HTR1B (0.49) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL4106875 0.71 MEN1 (0.52) KMT2AL3MBTL1RAB9AMEN1CYP1A2
SCHEMBL10451424 0.69 BCAT2 (0.43) KMT2AL3MBTL1RAB9AMEN1CYP1A2
SCHEMBL29915268 0.69 MAOB (0.57) L3MBTL1ALDH1A1GAAKDM4E
SCHEMBL13543220 0.69 KMT2A (0.64) KMT2AL3MBTL1RAB9AMEN1CYP1A2

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