SCHEMBL4543072

SCHEMBL4543072

C=CCSc1cccc2c3ccccc3c3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ FGFR1 P11362 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL27233210 0.84 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL10351891 0.81 MEN1 (0.48) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL2607720 0.81 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL27233182 0.80 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL6138710 0.79 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL7640553 0.76 L3MBTL1 (0.33) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL18889183 0.76 MAOA (0.49) L3MBTL1ALDH1A1HPGDHSD17B10GAA
SCHEMBL7195292 0.75 MEN1 (0.43) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL1082915 0.74 MEN1 (0.69) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL3431356 0.74 MEN1 (0.42) L3MBTL1MEN1KMT2AALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053981-A2 ELECTRONIC NOSE DEVICE WITH SENSORS COMPOSED OF NANOWIRES OF COLUMNAR DISCOTIC LIQUID CRYSTALS WITH LOW SENSITIVITY TO HUMIDITY TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2009-04-30 — — WO claimed
CN-104418714-A Benzophenanthrene disk-like liquid crystal dimer and synthetic method thereof BEIJING INST GRAPHIC COMM 2015-03-18 — — CN disclosed
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