SCHEMBL28700152

SCHEMBL28700152

O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.58
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KCNH2 Q12809 2/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
EPHB4 P54760 2/20 0.50
TEK Q02763 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL712395 0.86 MEN1 (0.58) TGM2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28705879 0.79 HSP90AA1 (0.47) TGM2MEN1KMT2AMAPTNPC1
SCHEMBL5430351 0.77 CA1 (0.55) MAPTLMNAALDH1A1NPSR1
SCHEMBL29174610 0.76 MEN1 (0.52) TGM2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18520178 0.74 TP53 (0.49) KCNH2MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL15662405 0.74 MEN1 (0.60) TGM2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6612706 0.74 TGM2 (0.40) TGM2KCNH2MAPTLMNARAB9A
SCHEMBL29174574 0.73 MAPT (0.59) TGM2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22619812 0.73 KMT2A (0.46) TGM2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5629875 0.72 CTSK (0.46) TGM2KCNH2MAPTRAB9ANPSR1

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-114075139-A Five-membered heteroaromatic ring compound and application thereof in medicines 广东东阳光药业有限公司 2022-02-22 CN disclosed