SCHEMBL28916239

SCHEMBL28916239

COC(=O)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
ELANE P08246 2/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
KCNN4 O15554 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19716281 0.85 NPC1 (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL29286714 0.84 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL4285291 0.83 TP53 (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL3846829 0.83 GAA (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL28916204 0.82 KDM4E (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL4284526 0.80 KDM4E (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL3848405 0.80 KDM4E (0.36) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL5359650 0.76 MAPT (0.41) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL687803 0.75 NOTUM (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1TP53
SCHEMBL3848554 0.75 LIPE (0.37) MAPTKDM4ESMN1; SMN2ALDH1A1TP53

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-115485279-A Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN disclosed