SCHEMBL11825931

SCHEMBL11825931

O=C(c1ccc(-c2cccc(CBr)c2F)cc1)c1ccc(-c2cccc(CBr)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ PTPN5 P54829 7/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SUCNR1 Q9BXA5 1/20 0.36
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36

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
SCHEMBL10981274 0.79 DPP4 (0.45) ALDH1A1FOLH1PTPN5SUCNR1LMNA
SCHEMBL27348799 0.73 HTR1A (0.33) PTPN5
SCHEMBL960397 0.70 GABRA1 (0.36) ALDH1A1
SCHEMBL21246924 0.70 MAPT (0.66) MAPTALDH1A1L3MBTL1HDAC3HDAC1
SCHEMBL8134820 0.69 APOBEC3G (0.37) NR4A2
SCHEMBL13824010 0.68 NR4A2 (0.48) PTPN5GSK3BNR4A2
SCHEMBL11571880 0.68 SUCNR1 (0.53) FOLH1SUCNR1LMNARAB9AKMT2A
SCHEMBL1646172 0.67 MRGPRX4 (0.48) ALDH1A1FOLH1
SCHEMBL13699910 0.67 ALDH1A1 (0.47) MAPTALDH1A1NPSR1MEN1LMNA
SCHEMBL13368898 0.67 PDCD1 (0.56) MAPTALDH1A1L3MBTL1FOLH1MEN1

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-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 — — US disclosed
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