SCHEMBL19212419

SCHEMBL19212419

O=C(OCc1ccccc1)N1CCN(c2ccc(CCNc3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
GAA P10253 4/20 0.50
MAPT P10636 4/20 0.50
TMEM97 Q5BJF2 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
GFER P55789 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
HRH2 P25021 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL24641731 0.84 MAPT (0.54) MEN1KMT2ANPSR1GAAMAPT
SCHEMBL28695496 0.83 ME2 (0.60) MEN1KMT2ANPSR1CA1CA2
SCHEMBL19211095 0.83 MEN1 (0.56) MEN1KMT2ANPSR1CA1CA2
SCHEMBL9727540 0.83 NPSR1 (0.68) MEN1KMT2ANPSR1CA1CA2
Hydrochloric Acid SCHEMBL19211077 0.82 MEN1 (0.55) MEN1KMT2ANPSR1CA1CA2
SCHEMBL28706501 0.82 TMEM97 (0.55) MEN1KMT2ANPSR1CA1CA2
SCHEMBL29939249 0.82 MAPT (0.61) MEN1KMT2AGAAMAPTGFER
SCHEMBL6132364 0.81 GAA (0.69) MEN1KMT2ANPSR1CA1CA2
SCHEMBL28995520 0.81 CA1 (0.57) MEN1KMT2ANPSR1CA1CA2
SCHEMBL19211125 0.81 SIGMAR1 (0.52) MEN1KMT2ANPSR1CA1CA2

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-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