SCHEMBL9425796

SCHEMBL9425796

N=C(N)c1cc(Cl)cc(-c2cc(Cl)cc(C(=N)N)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ F10 P00742 3/20 0.33
▸ F2 P00734 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR3D Q70Z44 1/20 0.31
▸ HTR3C Q8WXA8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ PRMT1 Q99873 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL17876912 0.89 LMNA (0.39) LMNAF10F2HTR3EHTR3B
Hydrochloric Acid SCHEMBL17866611 0.86 LMNA (0.43) LMNAF10F2HTR3EHTR3B
SCHEMBL9426187 0.74 PRSS1 (0.46) LMNA
Hydrochloric Acid SCHEMBL9426233 0.72 PRSS1 (0.45) LMNA
SCHEMBL9425946 0.69 PRSS1 (0.42) CCR1CCR5CCR8F10F2
SCHEMBL2723616 0.68 ALDH1A1 (0.46) LMNAHTR3EHTR3BHTR3AHTR3D
SCHEMBL29363452 0.68 ALDH1A1 (0.46) LMNAHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4333376 0.67 ALDH1A1 (0.45) LMNAHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL31708318 0.67 ALDH1A1 (0.45) LMNAHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL9375514 0.66 CNR2 (0.55) SCN9A

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-5354761-A Antiprotozoa agents CIBA-GEIGY CORP. (US) 1994-10-11 — — US disclosed
EP-0495749-A1 Bipyridines CIBA-GEIGY AG (CH) 1992-07-22 — — EP disclosed
Send feedback