SCHEMBL30344944

SCHEMBL30344944

c1ccc(-c2cc3ccccc3n2C2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.45
CYP11B2 P19099 3/20 0.44
CYP11B1 P15538 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRL1 P41146 5/20 0.39
APP P05067 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
BACE1 P56817 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
SCHEMBL8248926 0.92 KMT2A (0.49) KMT2AL3MBTL1CYP11B2CYP11B1ALDH1A1
SCHEMBL16136133 0.89 KMT2A (0.46) KMT2AL3MBTL1CYP11B2CYP11B1ALDH1A1
SCHEMBL19543673 0.82 KMT2A (0.43) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL16311208 0.82 KMT2A (0.43) KMT2AL3MBTL1CYP11B2CYP11B1ALDH1A1
SCHEMBL2423783 0.80 PDGFRB (0.41) KMT2AL3MBTL1CYP11B2CYP11B1ALDH1A1
SCHEMBL16103839 0.78 OPRM1 (0.44) KMT2AL3MBTL1CYP11B2CYP11B1ALDH1A1
SCHEMBL23034762 0.78 PTGS2 (0.40) KMT2ACYP11B2CYP11B1ALDH1A1KDM4E
SCHEMBL15792586 0.77 SMN1; SMN2 (0.41) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL27746345 0.77 NR1H2 (0.46) KMT2AALDH1A1MTNR1AMTNR1BOPRM1
SCHEMBL16136136 0.76 GPR119 (0.50) KMT2AKDM4EOPRM1OPRD1

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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed