SCHEMBL8134497

SCHEMBL8134497

COc1ccc(Br)cc1C(C)CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LPAR1 Q92633 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17700618 0.80 GLA (0.42) KMT2ATSHRGLASMN1; SMN2LMNA
SCHEMBL8125001 0.80 ADRA2A (0.46) KMT2ATSHRGLASMN1; SMN2LMNA
SCHEMBL16294121 0.80 GLA (0.42) KMT2ATSHRGLASMN1; SMN2LMNA
SCHEMBL16306959 0.80 GLA (0.42) KMT2ATSHRGLASMN1; SMN2LMNA
SCHEMBL27159740 0.78 PYCR1 (0.41) PYCR1KMT2ATSHRGLASMN1; SMN2
SCHEMBL30816260 0.78 PYCR1 (0.41) PYCR1KMT2ATSHRGLASMN1; SMN2
SCHEMBL8135441 0.78 CA1 (0.44) POLBTDP1
SCHEMBL171703 0.77 GLA (0.40) TSHRGLASMN1; SMN2LMNAKDM4E
SCHEMBL16293959 0.77 GLA (0.43) KMT2ATSHRGLASMN1; SMN2LMNA
SCHEMBL16293957 0.77 GLA (0.43) KMT2ATSHRGLASMN1; SMN2LMNA

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-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed