SCHEMBL8236173

SCHEMBL8236173

Clc1ccc(-c2cc3cc(-c4cccc([C]5CC5)c4)ccn3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
STAT3 P40763 1/20 0.36
TDP2 O95551 1/20 0.34
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CTRC Q99895 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
PARP1 P09874 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL8236175 0.84 MCHR1 (0.36) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2034294 0.80 ALDH1A3 (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8233686 0.80 TRIM24 (0.42) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8236368 0.80 CYP2C9 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8240896 0.79 CYP2C9 (0.38) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2027826 0.78 NR4A2 (0.56) TDP2CTRCPARP1
SCHEMBL8228445 0.78 NR4A2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8235484 0.78 NR4A2 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8233967 0.77 KDM4E (0.34) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14634108 0.77 NR4A2 (0.37) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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
EP-2477990-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
WO-2011033230-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed