SCHEMBL20370280

SCHEMBL20370280

Cc1ccc2c(c1)c1cc(C)ccc1c1nc3c(C(C)C)ccc(C)c3nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
TRPA1 O75762 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CASR P41180 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20370292 0.81 LMNA (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL20370285 0.74 SOS1 (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30105592 0.73 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL598682 0.73 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL1299805 0.73 LMNA (0.50) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28014556 0.72 LMNA (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28705258 0.70 NQO2 (0.42) LMNAKDM4EALDH1A1GAACYP1A2
SCHEMBL20370281 0.69 ESR2 (0.34) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL20821316 0.67 PDE1A (0.42) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL13330653 0.66 NQO2 (0.57) LMNAKDM4EALDH1A1GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180198128-A1 FLUORINATED-POLYMER COATED ELECTRODES SOUTH DAKOTA BOARD OF REGENTS (US) 2018-07-12 US disclosed