SCHEMBL26650780

SCHEMBL26650780

O=[N+]([O-])c1cc(Br)c2nc(Cl)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CASP6 P55212 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPBWR1 P48145 1/20 0.39
LCK P06239 1/20 0.38
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL31357879 0.81 NQO2 (0.55) NQO2ALDH1A1CYP3A4TDP1KDM4E
SCHEMBL31357825 0.77 NQO2 (0.48) NQO2ALDH1A1CYP3A4TDP1KDM4E
SCHEMBL15007822 0.74 MAPT (0.68) NQO2ALDH1A1TDP1KDM4ENPC1
SCHEMBL2116650 0.72 TDP1 (0.44) ALDH1A1TDP1KDM4ENPC1MAPT
SCHEMBL20660798 0.72 BACE1 (0.33) TDP1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL516896 0.71 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1NPC1MAPT
SCHEMBL29659762 0.71 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1NPC1MAPT
SCHEMBL9318302 0.71 ALDH1A1 (0.64) ALDH1A1CYP3A4
SCHEMBL31357824 0.71 NQO2 (0.48) NQO2ALDH1A1CYP3A4TDP1KDM4E
SCHEMBL3934985 0.70 CCR1 (0.41) NQO2ALDH1A1TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
CN-119241559-A Quinazoline macrocyclic compound serving as HPK1 kinase inhibitor and preparation method and application thereof 深圳市新樾生物科技有限公司 2025-01-03 CN disclosed
CN-119212988-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-27 CN disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed