SCHEMBL21930796

SCHEMBL21930796

OCCc1ccccc1NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL7258705 0.80 ALDH1A1 (0.42) TDP1TRPV1CA12CA2CA9
SCHEMBL932125 0.80 TDP1 (0.40) TDP1TRPV1CA12CA2CA9
SCHEMBL11100157 0.80 TDP1 (0.39) TDP1TRPV1CA12CA2CA9
SCHEMBL14141191 0.80 TAAR1 (0.54) TDP1CA12CA2CA9CYP2D6
SCHEMBL9413635 0.80 ADRA2B (0.44) CA12CA2CA9ALDH1A1HDAC3
SCHEMBL24673909 0.79 CA12 (0.39) CA12CA2CA9ALDH1A1HPGD
SCHEMBL3492989 0.78 KDM4E (0.47) TDP1TRPV1CA12CA2CA9
SCHEMBL29534868 0.77 TDP1 (0.55) TDP1CA2ALDH1A1PTPN1TSHR
SCHEMBL31203 0.77 TDP1 (0.55) TDP1CA2ALDH1A1PTPN1TSHR
SCHEMBL7066924 0.77 GAA (0.38) TDP1TRPV1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100432052-C Synthetic method for methoxy indole UNIV TIANJIN (CN) 2008-11-12 — — CN claimed
CN-1944405-A Synthetic method for methoxy indole UNIV TIANJIN (CN) 2007-04-11 — — CN claimed
US-20200149077-A1 METHOD FOR PRODUCING 1,2-AMINO ALCOHOL COMPOUND BY WHOLE CELL TRANSFORMATION JIANGNAN UNIVERSITY (CN) 2020-05-14 — — US disclosed
CN-107954916-A A kind of 5- methoxy-Indole production methods of the Woelm Alumina composite catalyst based on absorption tetrafluoroacetate 苏州盖德精细材料有限公司 2018-04-24 — — CN disclosed
CN-100432052-C Synthetic method for methoxy indole UNIV TIANJIN (CN) 2008-11-12 — — CN disclosed
CN-1944405-A Synthetic method for methoxy indole UNIV TIANJIN (CN) 2007-04-11 — — CN disclosed
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