SCHEMBL26535237

SCHEMBL26535237

Cc1ccc2ccc3c(N)cc(C)nc3c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
RAB9A P51151 1/20 0.58
CCR5 P51681 1/20 0.58
NR4A2 P43354 2/20 0.54
NCF1 P14598 1/20 0.47
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
METAP2 P50579 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL10699895 0.90 CCR1 (0.54) CCR1RAB9ACCR5NR4A2NCF1
SCHEMBL16690878 0.80 CCR1 (0.62) CCR1RAB9ACCR5KDM4ETDP1
SCHEMBL26130986 0.78 CCR1 (0.60) CCR1RAB9ACCR5KDM4ETDP1
SCHEMBL31191929 0.78 CCR1 (0.60) CCR1RAB9ACCR5KDM4ETDP1
SCHEMBL13622758 0.78 ADORA1 (0.64) NR4A2NCF1KDM4ETDP1ADORA2A
SCHEMBL24654272 0.77 CCR1 (0.58) CCR1RAB9ACCR5KDM4ETDP1
SCHEMBL438259 0.77 NR4A2 (0.54) RAB9ANR4A2NCF1KDM4ETDP1
SCHEMBL20561879 0.77 MAPT (0.64) CCR1RAB9ACCR5NR4A2KDM4E
SCHEMBL30009397 0.77 MAPT (0.64) CCR1RAB9ACCR5NR4A2KDM4E
SCHEMBL8673009 0.77 CCR1 (0.58) CCR1RAB9ACCR5KDM4EMETAP2

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-2023182835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2023-09-28 WO disclosed