SCHEMBL8130885

SCHEMBL8130885

COc1cccc2c(Cl)c(I)cnc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ HTR1A P08908 2/20 0.44
▸ ADRA1D P25100 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ ADRA1B P35368 2/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ATP4A P20648 1/20 0.42
▸ ATP4B P51164 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ NQO2 P16083 1/20 0.40

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
SCHEMBL8138356 0.84 ALDH1A1 (0.46) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL24008926 0.81 KDM4E (0.48) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL9685903 0.78 KDM4E (0.46) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL29254511 0.77 KDM4E (0.48) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL6381401 0.77 HPGDS (0.54) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL28926222 0.76 PIN1 (0.53) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8537645 0.76 MEN1 (0.48) MEN1KMT2A
SCHEMBL9652279 0.76 MEN1 (0.48) MEN1KMT2A
SCHEMBL1257667 0.76 MEN1 (0.51) MEN1KMT2A
Hydrochloric Acid SCHEMBL8537647 0.75 MEN1 (0.50) MEN1KMT2A

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
EP-1009748-A1 3-ALKYLPYRROLO 3,2-$i(c)]QUINOLINE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 2000-06-21 — — EP disclosed
WO-2000001696-A1 3-ALKYLPYRROLO[3,2-c]QUINOLINE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-13 — — WO disclosed
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