SCHEMBL15716701

SCHEMBL15716701

Nn1nc(-c2ccccc2)c(Cl)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.41
AKT1 P31749 4/20 0.40
AKT2 P31751 4/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XDH P47989 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL13736647 0.78 RECQL (0.51) PTGER1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13739831 0.74 ALDH1A1 (0.55) LMNASMN1; SMN2ALDH1A1GLAGAA
SCHEMBL18864266 0.73 MEN1 (0.53) PTGER1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13738541 0.72 TDP1 (0.51) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL13736982 0.70 RECQL (0.44) PTGER1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL13738455 0.70 MAPT (0.45) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL15661063 0.70 PTGIR (0.42) PTGER1KDM4ELMNAALDH1A1PKM
SCHEMBL6266547 0.69 PTGER1 (0.47) PTGER1KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL15657185 0.69 NR1H2 (0.41) PTGER1KDM4ELMNAALDH1A1PKM
SCHEMBL13739586 0.68 PTGER1 (0.38) PTGER1KDM4ELMNASMN1; SMN2ALDH1A1

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
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed