SCHEMBL24385124

SCHEMBL24385124

CC1C(c2ccco2)=CC=CC1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.34
▸ ALDH1A1 P00352 8/20 0.33
▸ HSD17B10 Q99714 6/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ TDP1 Q9NUW8 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ ALOX15 P16050 4/20 0.33
▸ RECQL P46063 4/20 0.33
▸ BLM P54132 4/20 0.33
▸ POLB P06746 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ CASP1 P29466 2/20 0.33

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
SCHEMBL30523441 0.74 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23838377 0.67 — —
SCHEMBL24224782 0.66 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7805935 0.62 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20367512 0.61 — —
SCHEMBL1799678 0.61 ALDH1A1 (0.63) TAAR1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL7805947 0.59 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3157938 0.56 TAAR1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21533809 0.56 KDM4E (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1132843 0.56 TAAR1 (0.45) TAAR1ALDH1A1HSD17B10MAPTKDM4E

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
EP-3992200-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2022-05-04 — — EP disclosed
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