SCHEMBL19991631

SCHEMBL19991631

Clc1ccccc1-c1ccccc1-c1cc2c3ccccc3[nH]c2c2sc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAP3K9 P80192 3/20 0.46
▸ MAP3K11 Q16584 3/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ TNKS O95271 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ NTRK1 P04629 1/20 0.42
▸ MAP3K10 Q02779 1/20 0.42
▸ PTGES O14684 1/20 0.36
▸ ADK P55263 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ AHR P35869 2/20 0.35
▸ GABRP O00591 3/20 0.34
▸ GABRD O14764 3/20 0.34
▸ GABRA1 P14867 3/20 0.34
▸ GABRB1 P18505 3/20 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
SCHEMBL25681761 0.82 MEN1 (0.56) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL24593233 0.76 MAPT (0.59) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL18101320 0.76 MEN1 (0.59) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL15126717 0.72 MEN1 (0.44) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL19991874 0.72 MAP3K11 (0.42) MAP3K9MAP3K11PTGESDYRK1AAHR
SCHEMBL28595093 0.72 PARP14 (0.53) PTGESDYRK1APARP14
SCHEMBL17660906 0.70 MEN1 (0.55) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL30887363 0.70 MEN1 (0.69) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL22011388 0.70 MAP3K9 (0.67) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL15138782 0.70 MEN1 (0.69) MEN1KMT2AMAPTRAB9AMAP3K9

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
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