SCHEMBL19991874

SCHEMBL19991874

Clc1ccccc1-c1ccccc1-c1cc2c3ccccc3[nH]c2c2oc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 2/20 0.42
▸ MAP3K9 P80192 1/20 0.42
▸ PIM1 P11309 8/20 0.42
▸ CSNK2A2 P19784 8/20 0.42
▸ CSNK2B P67870 8/20 0.42
▸ PIM3 Q86V86 8/20 0.42
▸ PIM2 Q9P1W9 8/20 0.42
▸ AHR P35869 2/20 0.38
▸ CDK5 Q00535 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ WEE1 P30291 1/20 0.34

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
SCHEMBL17406613 0.79 ALDH1A1 (0.47) MAP3K11MAP3K9CDK5CDK5R1WEE1
SCHEMBL18101101 0.76 MAP3K11 (0.47) MAP3K11MAP3K9AHRCDK5DYRK1A
SCHEMBL16310288 0.74 PIM1 (0.45) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL19991631 0.72 MEN1 (0.51) MAP3K11MAP3K9AHRDYRK1APTGES
SCHEMBL28595093 0.72 PARP14 (0.53) DYRK1APTGES
SCHEMBL18593650 0.72 AHR (0.55) MAP3K11MAP3K9AHRCDK5DYRK1A
SCHEMBL16835579 0.71 GABRP (0.47) MAP3K11MAP3K9PIM1CSNK2A2CSNK2B
SCHEMBL29961348 0.71 AHR (0.41) MAP3K11MAP3K9AHR
SCHEMBL18101308 0.70 MAP3K11 (0.44) MAP3K11MAP3K9AHRCDK5DYRK1A
SCHEMBL16276007 0.70 KIF11 (0.46) MAP3K11MAP3K9CDK5DYRK1ACDK5R1

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 — — US disclosed
Send feedback