SCHEMBL21537700

SCHEMBL21537700

Cc1nc2ccccc2c2c3ccccc3c3ccccc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ NUDT1 P36639 1/20 0.53
▸ OPRM1 P35372 2/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ UHRF1 Q96T88 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.47
▸ TP53 P04637 1/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ DCPS Q96C86 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAOA P21397 2/20 0.41

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
SCHEMBL85621 0.79 GPR3 (1.00) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL19051735 0.77 KIF11 (0.41) GPR3ALDH1A1HSD17B10CYP1A2HPGD
Hydrochloric Acid SCHEMBL3907848 0.77 GPR3 (0.95) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL17532765 0.76 GPR3 (0.57) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL24164244 0.75 GPR3 (0.61) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL31175873 0.75 TNKS2 (0.51) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL17589588 0.74 GPR3 (0.59) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL19051729 0.74 POLB (0.49) GPR3ALDH1A1HSD17B10HPGDOPRM1
SCHEMBL5214215 0.74 GPR3 (0.53) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL18808959 0.74 TDP1 (0.62) GPR3ALDH1A1HSD17B10CYP1A2HPGD

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
EP-3561892-A1 ORGANIC LIGHT-EMITTING DEVICE Heesung Material Ltd. (KR) 2019-10-30 — — EP disclosed
Send feedback