SCHEMBL28050388

SCHEMBL28050388

COc1ccccc1-c1nccn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
KMT2A Q03164 1/20 0.49
MC4R P32245 1/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.43
KCNN4 O15554 1/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C19 P33261 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
GFER P55789 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL12046421 0.82 BRD4 (0.47) BRD4KMT2AMC4RKDM4EHSD17B10
Hydrochloric Acid SCHEMBL4345829 0.80 BRD4 (0.57) BRD4KMT2AMC4RKDM4EHSD17B10
SCHEMBL28810308 0.79 P2RX4 (0.50) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL28265879 0.79 KMT2A (0.42) KMT2AKDM4EALDH1A1KCNN4CYP1A2
SCHEMBL9731132 0.79 KCNN4 (0.47) KMT2AKDM4EALDH1A1KCNN4CYP1A2
SCHEMBL10773261 0.79 BRD4 (0.47) BRD4MC4RKDM4EALDH1A1HPGD
SCHEMBL13587950 0.78 BRD4 (0.56) BRD4KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL27949777 0.76 ATP4A (0.48) KMT2AKDM4EKCNN4CYP1A2CYP3A4
SCHEMBL28852239 0.76 P2RX4 (0.49) KMT2AMC4RALDH1A1CYP1A2CYP3A4
SCHEMBL877718 0.75 BRD4 (0.53) BRD4KMT2AMC4RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105229009-A 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents HOFFMANN LA ROCHE 2016-01-06 CN claimed
CN-105229009-A 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents HOFFMANN LA ROCHE 2016-01-06 CN disclosed