SCHEMBL20385093

SCHEMBL20385093

NN/N=C(\Nc1ccccc1N)c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.41
▸ HDAC3 O15379 10/20 0.41
▸ HDAC2 Q92769 10/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 0.38
▸ HDAC10 Q969S8 3/20 0.38
▸ HDAC11 Q96DB2 3/20 0.38
▸ HDAC9 Q9UKV0 3/20 0.38
▸ HDAC5 Q9UQL6 3/20 0.38
▸ NCOR2 Q9Y618 2/20 0.38
▸ SIGMAR1 Q99720 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ GRIN2D O15399 2/20 0.36
▸ GRIN3B O60391 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36

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
SCHEMBL20385092 0.87 HTT (0.41) SIGMAR1NPC1RAB9AGRIN2DGRIN3B
SCHEMBL20385112 0.85 GAA (0.46) MAPK1SIGMAR1NPC1RAB9AGRIN2D
SCHEMBL20385119 0.84 CYP1A2 (0.47) SIGMAR1NPC1RAB9AGRIN2DGRIN3B
SCHEMBL20385169 0.81 SIGMAR1 (0.44) HDAC1HDAC3HDAC2MAPK1HDAC8
SCHEMBL20385111 0.80 KMT2A (0.48) MAPK1SIGMAR1NPC1RAB9AGRIN2D
SCHEMBL20385090 0.77 SIGMAR1 (0.42) HDAC1HDAC3HDAC2MAPK1HDAC8
SCHEMBL20385088 0.77 HTT (0.46) RAB9AMEN1KMT2AKDM4E
SCHEMBL20385120 0.76 ALDH1A1 (0.48) HDAC1HDAC3HDAC2MAPK1HDAC8
SCHEMBL20385167 0.76 HDAC1 (0.61) HDAC1HDAC3HDAC2MAPK1HDAC8
SCHEMBL20385139 0.74 HDAC1 (0.42) HDAC1HDAC3HDAC2MAPK1HDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867215-B1 TETRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2018-07-18 — — EP disclosed
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