SCHEMBL31456709

SCHEMBL31456709

Cc1cccnc1-c1ccccn1.[N]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
NPC1 O15118 4/20 0.58
METAP2 P50579 1/20 0.53
LMNA P02545 3/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
CYP2A6 P11509 1/20 0.48
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL29531176 0.98 KDM4E (0.60) KDM4ENPC1METAP2LMNACCR1
SCHEMBL230048 0.98 KDM4E (0.60) KDM4ENPC1METAP2LMNACCR1
SCHEMBL2966928 0.86 KDM4E (0.53) KDM4ENPC1METAP2LMNACCR1
SCHEMBL11651384 0.82 KDM4E (0.45) KDM4ENPC1METAP2LMNACCR1
SCHEMBL592061 0.81 CYP2A6 (0.56) KDM4ENPC1METAP2LMNACCR1
SCHEMBL31365155 0.80 METAP2 (0.50) KDM4ENPC1METAP2LMNACCR1
SCHEMBL31252534 0.79 CYP2A6 (0.61) KDM4ENPC1METAP2LMNABLM
SCHEMBL196235 0.79 CYP2A6 (0.61) KDM4ENPC1METAP2LMNABLM
SCHEMBL29924154 0.79 CYP2A6 (0.61) KDM4ENPC1METAP2LMNABLM
SCHEMBL349543 0.78 KDM4E (0.56) KDM4ENPC1LMNACCR1CCR5

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-119438160-A Method for detecting paraquat based on GSH-Zn-Ag-In-S quantum dots 中南民族大学 2025-02-14 CN disclosed