SCHEMBL9521480

SCHEMBL9521480

CC(O)(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1cc(Cl)cc2c1OCOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
ENPP2 Q13822 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9518318 0.83 ENPP2 (0.31) ENPP2
SCHEMBL9521500 0.77 TSHR (0.41) TSHRUSP2ALDH1A1KMT2AHPGD
SCHEMBL10539706 0.77 TSHR (0.41) TSHRUSP2ALDH1A1KMT2AHPGD
SCHEMBL31285054 0.76 NR3C1 (0.40) ENPP2
SCHEMBL34464492 0.74 ENPP2 (0.31) ENPP2
SCHEMBL3753129 0.72 USP9X (0.32) KDM4EENPP2
SCHEMBL3418683 0.71 KCNN4 (0.40) TSHRUSP2KMT2ARAB9AMEN1
SCHEMBL31284966 0.69 EED (0.34) ENPP2
SCHEMBL31285640 0.69 ENPP2 (0.37) ENPP2
SCHEMBL9518447 0.69 RORC (0.32)

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-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed