SCHEMBL9081663

SCHEMBL9081663

Cc1cccc(Br)c1NC(=N)Nc1c(C)cccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL11665157 0.86 DRD2 (0.40) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8873938 0.85 ALDH1A1 (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11580418 0.84 DRD2 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9082358 0.80 ALOX12 (0.56) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3832158 0.80 POLB (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11578638 0.79 KMT2A (0.40) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11142804 0.79 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL10614868 0.79 POLB (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9187652 0.78 ALDH1A1 (0.50) ALDH1A1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL11133380 0.78 PKM (0.48) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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
US-5502255-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS AND AS ANTIDEPRESSANTS STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1996-03-26 US disclosed