SCHEMBL8391908

SCHEMBL8391908

O=S(=O)([N]CCC1CCCCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HTT P42858 2/20 0.40
GBA1 P04062 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 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
SCHEMBL8397042 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8393372 0.98 HDAC3 (0.41) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8391570 0.95 HDAC3 (0.41) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8397080 0.92 HDAC3 (0.45) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8392222 0.92 HDAC3 (0.45) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8392014 0.92 HDAC3 (0.45) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8394582 0.92 GBA1 (0.46) ALDH1A1KMT2AKDM4EHDAC3HDAC4
SCHEMBL8394128 0.89 HDAC3 (0.45) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL8395499 0.85 HDAC3 (0.47) ALDH1A1KMT2AKDM4EMEN1HDAC3
SCHEMBL7787695 0.72 KMT2A (0.52) ALDH1A1KMT2AKDM4EMEN1HDAC3

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed