SCHEMBL10344607

SCHEMBL10344607

CCC(=O)Nc1c[c]c(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.44
NR4A1 P22736 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
SCHEMBL7028183 0.82 ENPP2 (0.52) SMN1; SMN2RAB9AHPGDCA1CA2
SCHEMBL10513173 0.82 ENPP2 (0.52) SMN1; SMN2RAB9AHPGDCA1CA2
SCHEMBL5147218 0.82 ENPP2 (0.52) SMN1; SMN2RAB9AHPGDCA1CA2
SCHEMBL95120 0.80 SMN1; SMN2 (0.50) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL9868062 0.80 CYP1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27454530 0.79 CA12 (0.50) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL10344809 0.79 L3MBTL1 (0.52) CYP3A4TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL13989319 0.77 GAA (0.73) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL5694350 0.76 HDAC3 (0.47) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL10800714 0.76 TSHR (0.61) TSHRRAB9ACA12CA1CA2

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
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed