SCHEMBL19212191

SCHEMBL19212191

O=C(OCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.47
ENPP2 Q13822 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTR7 P34969 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SERPINE1 P05121 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44

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
SCHEMBL19212206 0.85 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL19212266 0.85 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL19212310 0.84 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL19212183 0.83 RBP4 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL1873451 0.83 TGM2 (0.65) ALDH1A1MEN1KMT2AF13A1TGM2
SCHEMBL19212223 0.82 MAPT (0.49) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL20569350 0.81 SLC6A9 (0.58) SLC6A9ALDH1A1LMNAMAPTPOLB
SCHEMBL30890284 0.81 LMNA (0.65) SLC6A9ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL993182 0.81 LMNA (0.65) SLC6A9ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2390047 0.81 TDP1 (0.67) SLC6A9ALDH1A1LMNAMAPTPOLB

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