SCHEMBL30485802

SCHEMBL30485802

NCc1ccnc(-c2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.56
KDM4E B2RXH2 5/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
LOX P28300 5/20 0.51
LOXL3 P58215 1/20 0.50
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47

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
SCHEMBL7036361 1.00 LOXL2 (0.56) LOXL2KDM4ELMNACCR1CCR5
SCHEMBL352525 0.88 LOXL2 (0.61) LOXL2CCR1CCR5CCR8LOX
Dipyridyl SCHEMBL8102799 0.83 CCR1 (0.45) LOXL2KDM4ELMNACCR1CCR5
SCHEMBL5991845 0.81 LOXL2 (0.70) LOXL2LOXLOXL3HSP90AA1
SCHEMBL7037544 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29603676 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4535559 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28416719 0.81 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL7605142 0.79 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30567052 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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-113683557-B Application of cyclopentadienyl iridium/rhodium dimer 南京师范大学 2023-07-14 CN disclosed