SCHEMBL18647164

SCHEMBL18647164

Brc1ccc2[nH]c3c4sc5ccccc5c4c4ccccc4c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAP3K9 P80192 3/20 0.50
▸ MAP3K11 Q16584 3/20 0.50
▸ CDK4 P11802 3/20 0.50
▸ CCND1 P24385 3/20 0.50
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ GABRE P78334 1/20 0.50

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
SCHEMBL30887363 0.84 MEN1 (0.69) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL15138782 0.84 MEN1 (0.69) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL29506382 0.84 MEN1 (0.69) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL18647157 0.83 MEN1 (0.53) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL21709327 0.83 MEN1 (0.59) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL18132843 0.82 MEN1 (0.51) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL2627638 0.80 CCNB2 (0.59) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL19660900 0.80 AR (0.51) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL8817511 0.79 GABRP (0.45) MEN1KMT2AMAPTRAB9AMAP3K9
SCHEMBL19110405 0.79 PTPN1 (0.46) 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
WO-2017043835-A1 ORGANIC ELECTRONIC DIODE COMPOUND, ORGANIC ELECTRONIC DIODE USING SAME, AND DEVICE THEREFOR 덕산네오룩스 주식회사 2017-03-16 — — WO disclosed
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