SCHEMBL30964003

SCHEMBL30964003

Clc1ccc2c(c1)N(c1ccccc1)c1ccccc1C21c2ccccc2Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
PDE4D Q08499 1/20 0.36
PIM1 P11309 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX4 Q99571 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
PGR P06401 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL27413513 1.00 OPRK1 (0.36) OPRK1PDE4DPIM1TDP1MEN1
SCHEMBL30964000 0.92 OPRK1 (0.36) OPRK1PDE4DPIM1TDP1MEN1
SCHEMBL15030643 0.87 ALDH1A1 (0.37) P2RX4PGRCYP1A2CYP3A4CYP2D6
SCHEMBL24027638 0.85 PDK2 (0.40) OPRK1PDE4DMEN1KMT2AITGB2
SCHEMBL27413471 0.84 ALDH1A1 (0.34) P2RX4PGRTP53CYP1A2CYP3A4
SCHEMBL28934572 0.81 PIM1 (0.45) OPRK1PDE4DPIM1TDP1MEN1
SCHEMBL15030806 0.81 ADAMTS5 (0.32) PGRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15030645 0.79 ALDH1A1 (0.39) TP53CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28074083 0.79 ITGB2 (0.43) OPRK1PDE4DMEN1KMT2AITGB2
SCHEMBL21867484 0.78 ALDH1A1 (0.33) P2RX4PGRCYP1A2CYP3A4CYP2D6

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-2024136503-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-06-27 WO disclosed