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SCHEMBL18950118

SCHEMBL18950118

Cc1ccc(Oc2cc3c4c(ccc5c6c(Oc7ccc(C)cc7)cc7c8c(ccc(c2c45)c86)C(=O)N(c2ccc(N4C(=O)c5ccc6c8c(Oc9ccc(C)cc9)cc9c%10c(ccc(c%11c(Oc%12ccc(C)cc%12)cc(c5c6%11)C4=O)c%108)C(=O)N(c4ccc(N5C(=O)c6ccc8c%10c(Oc%11ccc(C)cc%11)cc%11c%12c(ccc(c%13c(Oc%14ccc(C)cc%14)cc(c6c8%13)C5=O)c%12%10)C(=O)N(c5ccc(Br)cc5)C%11=O)cc4)C9=O)cc2)C7=O)C(=O)N(c2ccc(Br)cc2)C3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CA9 Q16790 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL16285003 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL16285002 0.89 MEN1 (0.53) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL10021803 0.77 KMT2A (0.56) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL760721 0.73 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL7746483 0.73 KMT2A (0.39) KMT2AMEN1ESR1ESR2PTGES
SCHEMBL24221089 0.72 POLB (0.56) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL9638650 0.72 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL15672159 0.72 ESR1 (0.57) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL11990862 0.72 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1RAB9AESR1
SCHEMBL14706563 0.72 POLB (0.36) KMT2AMEN1ALDH1A1RAB9AESR1

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-9680103-B2 Organic photoelectric conversion element composition, thin film and photovoltaic cell each containing the same, organic semiconductor polymer and compound each for use in these, and method of producing the polymer FUJIFILM CORPORATION (JP) 2017-06-13 — — US disclosed
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