SCHEMBL19543869

SCHEMBL19543869

CSc1ccc2ccccc2c1-c1ccc(Br)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.41
▸ SLC22A12 Q96S37 2/20 0.40
▸ MAPT P10636 3/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HPRT1 P00492 1/20 0.32

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
SCHEMBL11908113 0.82 CYP2A6 (0.50) DNMT1MAPTSLC2A1ALDH1A1TDP1
SCHEMBL19064465 0.78 HPRT1 (0.38) MAPTSLC2A1ALDH1A1TDP1CYP2A6
SCHEMBL22729951 0.78 TSHR (0.47) DNMT1MAPTALDH1A1TDP1CYP2A6
SCHEMBL19543965 0.77 USP2 (0.38) DNMT1SLC22A12MAPTALDH1A1TDP1
SCHEMBL19544356 0.75 SLC22A12 (0.36) SLC22A12MAPTALDH1A1CYP2A6TSHR
SCHEMBL19543868 0.75 DNMT1 (0.39) DNMT1MAPTALDH1A1TDP1CYP2A6
SCHEMBL18907361 0.75 DNMT1 (0.44) DNMT1MAPTALDH1A1TDP1CYP2A6
SCHEMBL19544023 0.75 POLB (0.53) DNMT1MAPTALDH1A1HSD17B10CYP1A2
SCHEMBL22155106 0.73 CES1 (0.46) DNMT1ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL17875623 0.73 POLB (0.50) MAPTSLC2A1ALDH1A1TDP1CYP2A6

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-2017188676-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-11-02 — — WO disclosed
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