SCHEMBL7143476

SCHEMBL7143476

O=C1c2ccccc2CCn2c1nnc2-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.43
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MIF P14174 3/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL7142746 0.90 CYP19A1 (0.46) CES1HPGDMAOAMAPTTDP1
SCHEMBL7140651 0.84 CES1 (0.47) CES1MAOAKMT2AMAPTTDP1
SCHEMBL2792755 0.72 MAPT (0.47) HPGDKMT2ATSHRMAPTTDP1
SCHEMBL7138437 0.72 CES1 (0.47) CES1MAOAMAPTTDP1L3MBTL1
SCHEMBL7136783 0.71 HPGD (0.58) HPGDKMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL44496 0.71 CES1 (0.90) CES1MAOAKMT2AMAPTTDP1
SCHEMBL29408351 0.71 CES1 (0.90) CES1MAOAKMT2AMAPTTDP1
SCHEMBL29437756 0.71 CES1 (0.90) CES1MAOAKMT2AMAPTTDP1
SCHEMBL2776723 0.71 PARP1 (0.39) HPGDKMT2ATSHRMAPTTDP1
SCHEMBL13185710 0.70 KMT2A (0.40) HPGDMAOAKMT2ATSHRTDP1

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-0675887-B1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-02 EP disclosed
EP-0675887-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
WO-1994013671-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed