SCHEMBL9756855

SCHEMBL9756855

C=C(C(=O)Nc1nnn[nH]1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL10934234 0.84 HDAC6 (0.50) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL10935204 0.82 CA1 (0.49) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL10935199 0.82 CA1 (0.49) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9756903 0.79 RAB9A (0.44) L3MBTL1ALDH1A1HDAC8NPC1RAB9A
SCHEMBL9756827 0.77 ALDH1A1 (0.41) CES2CES1LMNAALDH1A1HDAC1
SCHEMBL9756856 0.76 PTPN1 (0.40) ALDH1A1HDAC6HDAC3HDAC4HDAC1
SCHEMBL9756984 0.75 GAA (0.38) L3MBTL1NAPRTALDH1A1RAB9ASMN1; SMN2
SCHEMBL13715632 0.75 NPC1 (0.58) LMNANPC1RAB9APKMSMN1; SMN2
SCHEMBL9756986 0.74 RAB9A (0.39) CES2CES1LMNAALDH1A1NPC1
SCHEMBL9756889 0.74 LMNA (0.42) LMNAL3MBTL1ALDH1A1HDAC6HDAC3

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