SCHEMBL22056074

SCHEMBL22056074

O=c1c2cccnc2sn1CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.72
EP300 Q09472 3/20 0.58
CREBBP Q92793 3/20 0.58
KAT2A Q92830 3/20 0.58
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
LIPG Q9Y5X9 1/20 0.48
TGM2 P21980 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL21996046 0.90 KAT2B (0.61) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL17502095 0.84 KAT2B (1.00) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL22056075 0.84 KAT2B (0.54) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL20022707 0.81 CASP3 (0.68) KAT2BKAT2AHDAC3HDAC1HDAC8
SCHEMBL22056077 0.80 KAT2B (0.69) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL22056078 0.77 KAT2B (0.50) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL20022697 0.77 P4HB (0.69) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL18872059 0.74 KAT2B (1.00) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL17515276 0.73 KAT2B (1.00) KAT2BEP300CREBBPKAT2AHDAC3
SCHEMBL17515280 0.72 KAT2B (0.76) KAT2BEP300CREBBPKAT2AHDAC3

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
WO-2020113222-A1 NEUROPROTECTIVE PDI MODULATING SMALL MOLECULES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-04 WO disclosed