SCHEMBL31663129

SCHEMBL31663129

Cc1nc(CCl)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
HPGD P15428 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 3/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
ACHE P22303 2/20 0.38
GFER P55789 1/20 0.38
BPTF Q12830 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16373725 0.75 KDM4E (0.47) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL13523663 0.74 KDM4E (0.59) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL17788549 0.73 KDM4E (0.45) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL13153128 0.73 KDM4E (0.63) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL18568567 0.71 KDM4E (0.61) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL11710488 0.70 KDM4E (0.59) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL6397072 0.69 KDM4E (0.59) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL22161611 0.69 KDM4E (0.59) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL10663924 0.69 KDM4E (1.00) KDM4EHPGDMEN1KMT2AMAPK1
SCHEMBL1586850 0.69 KDM4E (0.53) KDM4EHPGDMEN1KMT2AMAPK1

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
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 WO disclosed