SCHEMBL21940602

SCHEMBL21940602

CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C2NSC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.45
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ STS P08842 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL21940603 0.81 KDM1A (0.43) KDM1ATSHRALOX15ATMGPR119
SCHEMBL21940363 0.81 KDM1A (0.43) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272806 0.78 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL6397393 0.78 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL6393580 0.78 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272818 0.78 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL21940373 0.76 TSHR (0.39) TSHRALOX15ATMGPR119STS
SCHEMBL14272805 0.76 TSHR (0.46) KDM1ATSHRALOX15ATMGPR119
SCHEMBL31645476 0.76 KDM1A (0.45) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272804 0.75 KDM1A (0.46) KDM1ATSHRALOX15ATMGPR119

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-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 — — WO disclosed
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