SCHEMBL9703395

SCHEMBL9703395

CN1C(=O)N(Cc2ccc(Cl)c(Cl)c2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.53
PTH1R Q03431 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.46
APAF1 O14727 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CCKBR P32239 4/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL9705380 0.89 PTH1R (0.50) PTH1RLMNATP53BCHECES1
SCHEMBL9703671 0.85 PTH1R (0.49) PTH1RMAPTLMNAALDH1A1CCKBR
SCHEMBL9702828 0.75 CCKBR (0.48) PGRCCKBRGABRA1GABRG2GABRB3
SCHEMBL8320572 0.72 BRD4 (0.49) PGRMAPTLMNAALDH1A1APAF1
SCHEMBL8316485 0.71 BRD4 (0.46) PGRMAPTLMNAALDH1A1APAF1
SCHEMBL8324826 0.68 PTH1R (0.46) PTH1RALDH1A1TP53BCHETSHR
SCHEMBL9703566 0.66 CCKBR (0.38) ALDH1A1CYP1A2CYP2D6TSHRCCKBR
SCHEMBL9703573 0.66 CCKBR (0.55) LMNACCKBRPDE3AGABRA1GABRG2
SCHEMBL28120473 0.64 CCKBR (0.50) LMNACCKBRPDE3AGABRA1GABRG2
SCHEMBL5426477 0.64 ALDH1A1 (1.00) MAPTALDH1A1APAF1TP53CYP1A2

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
US-5091381-A Detection of peripheral benzodiazepine receptor activity in cell or tissue by labelled compounds using radioisotopes or cytoxic agents BIOMEASURE, INC. (US) 1992-02-25 US claimed
US-5091381-A Detection of peripheral benzodiazepine receptor activity in cell or tissue by labelled compounds using radioisotopes or cytoxic agents BIOMEASURE, INC. (US) 1992-02-25 US disclosed