SCHEMBL31252166

SCHEMBL31252166

Brc1cc(Br)cc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
LMNA P02545 4/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
CYP1A2 P05177 2/20 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
GRM5 P41594 2/20 0.50
CYP2A6 P11509 1/20 0.48
NPC1 O15118 6/20 0.46
TP53 P04637 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 3/20 0.46
TDP1 Q9NUW8 2/20 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
SCHEMBL9958124 1.00 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9958239 0.96 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10263189 0.88 GRM5 (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1533732 0.87 GRM5 (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30610282 0.87 GRM5 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25463227 0.87 CCR1 (0.55) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14243601 0.87 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19559974 0.87 GRM5 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16215303 0.87 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17296043 0.86 KDM4E (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285658-A Compounds of formula (I) 三星显示有限公司 2025-01-10 CN disclosed
CN-111969115-B Organic light emitting device 三星显示有限公司 2024-12-06 CN disclosed