SCHEMBL31078627

SCHEMBL31078627

COC(=O)c1sc(C(F)F)cc1N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL31078867 0.83 PIK3CA (0.43) TSHRALDH1A1SMN1; SMN2ALOX15GAA
SCHEMBL31078810 0.83 PIN1 (0.33) TSHRALDH1A1SMN1; SMN2MAPTALOX15
SCHEMBL31078495 0.82 IKBKB (0.42) TSHRALDH1A1SMN1; SMN2ALOX15GAA
SCHEMBL18394738 0.81 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2MAPTALOX15
SCHEMBL31078892 0.75 POLB (0.44) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL31078648 0.72 TSHR (0.44) TSHRALDH1A1MAPTALOX15KMT2A
SCHEMBL27029191 0.70 PRKDC (0.44) ALDH1A1SMN1; SMN2MAPTALOX15KMT2A
SCHEMBL18394780 0.69 KDM4E (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL475555 0.68 MRGPRX4 (0.54) ALDH1A1SMN1; SMN2MAPTALOX15KMT2A
SCHEMBL25256432 0.68 GAA (0.55) ALDH1A1MAPTALOX15KMT2AGAA

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
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