SCHEMBL19212428

SCHEMBL19212428

CC(C)(C)OC(=O)N1CCN(c2ccc(CCN)cc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29707436 1.00 BACE1 (0.44) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL29707420 0.87 L3MBTL1 (0.50) SMN1; SMN2MEN1KMT2ACYP2C19SMARCA2
SCHEMBL22957454 0.87 L3MBTL1 (0.50) SMN1; SMN2MEN1KMT2ACYP2C19SMARCA2
SCHEMBL29576917 0.87 SMN1; SMN2 (0.48) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL19211056 0.87 SMN1; SMN2 (0.48) BACE1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL28256705 0.83 USP28 (0.35) BACE1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22957521 0.82 KIT (0.48) BACE1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL19212323 0.82 MAPT (0.60) SMN1; SMN2MEN1KMT2ACYP2C19LMNA
SCHEMBL28688759 0.81 PDE4D (0.44) SMN1; SMN2MEN1KMT2ACYP2C19SMARCA2
SCHEMBL29129953 0.80 GPR119 (0.54) SMN1; SMN2MEN1KMT2ACYP2C19LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed
EP-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed