SCHEMBL8527733

SCHEMBL8527733

Cc1cn(P(=O)(O)O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
KDM4E B2RXH2 4/20 0.41
NQO2 P16083 1/20 0.41
FABP4 P15090 2/20 0.40
HTR6 P50406 1/20 0.40
SLC6A2 P23975 4/20 0.38
POLB P06746 1/20 0.37
SLC6A4 P31645 2/20 0.37
TFPI2 P48307 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8530795 0.79 MEN1 (0.39) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8527729 0.78 POLB (0.33) MEN1KMT2AKDM4EFABP4POLB
SCHEMBL8532912 0.75 MEN1 (0.39) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8526986 0.74 MEN1 (0.55) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8527741 0.71 MEN1 (0.52) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL8927744 0.70 MEN1 (0.46) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL27887683 0.69 TFPI2 (0.51) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL30622597 0.68 TFPI2 (0.54) MEN1KMT2AHDAC1HDAC2HDAC8
SCHEMBL887130 0.68 CREBBP (0.55) MEN1KMT2AKDM4EPOLBTFPI2
SCHEMBL2594979 0.68 TFPI2 (0.54) MEN1KMT2AHDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed