SCHEMBL9756899

SCHEMBL9756899

O=C(C=Cc1ccc2ccccc2n1)Nc1nnn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
KDM4E B2RXH2 6/20 0.53
LMNA P02545 6/20 0.53
HCAR2 Q8TDS4 1/20 0.53
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PFKFB3 Q16875 2/20 0.50

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
SCHEMBL9756853 0.81 KMT2A (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9756828 0.79 RAB9A (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9756921 0.78 NFE2L2 (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3532100 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3532094 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL11495341 0.76 RAB9A (0.58) HDAC8KDM4EMAPTCYP1A2HTT
SCHEMBL9756852 0.75 MAPT (0.48) KDM4ELMNAMAPTCYP1A2CYP2C19
SCHEMBL9756976 0.72 JUN (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9756903 0.72 RAB9A (0.44) HDAC8KDM4EMAPTCYP1A2SMN1; SMN2
SCHEMBL9756888 0.71 NAMPT (0.55) KDM4EMAPTMAPK1NPC1RAB9A

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 4 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
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