SCHEMBL9869668

SCHEMBL9869668

Clc1ccc(-c2ccnc3nccn23)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 1.00
NPC1 O15118 2/20 0.50
DPP4 P27487 1/20 0.49
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BACE1 P56817 1/20 0.42
HSD11B1 P28845 2/20 0.40
SCN9A Q15858 1/20 0.39
MAPT P10636 2/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.37
MGAM O43451 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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
SCHEMBL14920062 0.81 EGLN2 (0.68) EGLN2NPC1DPP4BACE1SCN9A
SCHEMBL9869687 0.74 BACE1 (0.68) EGLN2KDM4EBACE1SMN1; SMN2ALDH1A1
SCHEMBL3599775 0.68 EGLN2 (0.51) EGLN2NPC1DPP4KDM4EMEN1
SCHEMBL9869845 0.67 EGLN2 (0.50) EGLN2NPC1KDM4EKMT2ABACE1
SCHEMBL3036429 0.67 EGLN2 (0.49) EGLN2DPP4KDM4EBACE1SMN1; SMN2
SCHEMBL3604219 0.66 EGLN2 (0.49) EGLN2NPC1DPP4KDM4EMEN1
Benzene SCHEMBL27840008 0.66 ALDH1A1 (0.60) EGLN2NPC1KDM4EHSD11B1SCN9A
SCHEMBL29624840 0.65 AHR (0.64) KDM4EHSD11B1MAPTRAB9AMGAM
SCHEMBL464507 0.65 AHR (0.64) KDM4EHSD11B1MAPTRAB9AMGAM
SCHEMBL11009860 0.65 BACE1 (0.62) EGLN2NPC1BACE1MAPTSMN1; SMN2

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-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US claimed
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US disclosed