SCHEMBL28889154

SCHEMBL28889154

CCC(S)NC(=S)NC(=O)C(c1cc(C(F)(F)F)ccn1)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
PSMB5 P28074 2/20 0.35
PSMB1 P20618 1/20 0.35
DDR1 Q08345 1/20 0.35
CTSA P10619 5/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNH2 Q12809 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPAS1 Q99814 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
GHSR Q92847 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL28889200 0.88 ADRB2 (0.41) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL29941823 0.86 ADRB2 (0.40) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL29893979 0.83 ADRB2 (0.38) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL28889330 0.81 ALDH1A1 (0.44) ADRB2ALDH1A1MEN1KMT2AKCNH2
SCHEMBL28889152 0.81 ADRB2 (0.37) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL29893684 0.81 ADRB2 (0.39) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL28889286 0.81 ADRB2 (0.36) ADRB2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28889188 0.81 ADRB2 (0.39) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL28889319 0.80 ADRB2 (0.41) ADRB2DDR1ALDH1A1MEN1KMT2A
SCHEMBL29941704 0.78 ADRB2 (0.39) ADRB2DDR1CTSAALDH1A1MEN1

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
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed