SCHEMBL30452234

SCHEMBL30452234

NN(Cl)C(=O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
MAPK1 P28482 1/20 0.45
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LIPE Q05469 1/20 0.38
BACE1 P56817 3/20 0.38
RPS6KA3 P51812 1/20 0.37
HSD11B1 P28845 1/20 0.37
SCN9A Q15858 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL9779781 0.78 KMT2A (0.68) KMT2AMAPK1PTGS1KDM4EABL1
SCHEMBL1996711 0.78 KMT2A (1.00) KMT2AMAPK1PTGS1KDM4EABL1
SCHEMBL27680503 0.77 KMT2A (0.72) KMT2AMAPK1PTGS1KDM4EABL1
SCHEMBL18544165 0.77 KMT2A (0.67) KMT2AMAPK1PTGS1LIPEBACE1
SCHEMBL3883131 0.76 KMT2A (0.57) KMT2AMAPK1KDM4EABL1LMNA
Hydrazine SCHEMBL28254112 0.76 KMT2A (0.71) KMT2AMAPK1PTGS1KDM4ENPC1
SCHEMBL31532327 0.75 KMT2A (0.70) KMT2AMAPK1KDM4ENPC1RAB9A
SCHEMBL211804 0.75 KMT2A (0.70) KMT2AMAPK1KDM4ENPC1RAB9A
SCHEMBL16023939 0.75 KMT2A (0.55) KMT2AMAPK1LMNALIPESCN9A
SCHEMBL31424922 0.75 KMT2A (0.64) KMT2AMAPK1PTGS1NPC1RAB9A

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-110809472-B Process for preparing benzodiazepine derivatives 英安塔制药有限公司 2023-05-23 CN disclosed