SCHEMBL9756889

SCHEMBL9756889

C=C(C(=O)Nc1nnn[nH]1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41

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
SCHEMBL9756984 0.83 GAA (0.38) HIF1AALDH1A1GAAPLOD2TP53
SCHEMBL153149 0.83 LMNA (0.58) LMNAHIF1AHDAC1HDAC6ALDH1A1
SCHEMBL9756896 0.76 CES2 (0.38) HDAC1NPC1RAB9AKCNK3
SCHEMBL9756855 0.74 CES2 (0.41) LMNAHDAC1HDAC6ALDH1A1NPC1
SCHEMBL13715634 0.73 RAB9A (0.56) LMNAALDH1A1NPC1TP53RAB9A
SCHEMBL9756986 0.73 RAB9A (0.39) LMNAALDH1A1GAANPC1TP53
SCHEMBL9756827 0.73 ALDH1A1 (0.41) LMNAHDAC1ALDH1A1GAANPC1
SCHEMBL4185777 0.70 KDM4D (0.51) HDAC1ALDH1A1APPGAAHCAR3
SCHEMBL151398 0.70 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NAMPTKCNK3
SCHEMBL9756903 0.70 RAB9A (0.44) ALDH1A1GAANPC1TP53RAB9A

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
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed