SCHEMBL9756828

SCHEMBL9756828

O=C(C=Cc1cccc(Cl)n1)Nc1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 4/20 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
SCHEMBL9756921 0.99 NFE2L2 (0.38) RAB9AKMT2AMAPTMEN1HDAC3
SCHEMBL9756853 0.82 KMT2A (0.46) RAB9AKMT2AMAPTMEN1HDAC3
SCHEMBL9756899 0.79 HDAC6 (0.60) RAB9AKMT2AMAPTMEN1HDAC3
SCHEMBL10935620 0.76 IRAK4 (0.42) RAB9APOLBNPC1SMN1; SMN2KDM4E
SCHEMBL12892199 0.73 PYGL (0.53) RAB9AKMT2AMAPTMEN1NPC1
SCHEMBL9756976 0.73 JUN (0.49) RAB9AKMT2AMAPTMEN1HDAC3
SCHEMBL9756888 0.72 NAMPT (0.55) RAB9AMAPTNPC1KDM4EMAPK1
SCHEMBL9756826 0.72 RAB9A (0.60) RAB9AKMT2AMAPTMEN1POLB
SCHEMBL9756980 0.72 NPC1 (0.58) RAB9AKMT2AMAPTMEN1POLB
SCHEMBL10933820 0.71 GRM4 (0.43) RAB9AKMT2AMAPTMEN1HDAC6

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-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
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 claimed