SCHEMBL22760056

SCHEMBL22760056

COc1cccc(-n2c(C(=O)O)c(N3CCCCC3)c3cc(Cl)c(Cl)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.41
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
QSOX1 O00391 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
HTR7 P34969 1/20 0.39
NSD2 O96028 1/20 0.38
NSD1 Q96L73 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HPSE Q9Y251 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL22760416 0.92 EDNRA (0.41) EDNRANOTUMKMT2AGAAMAPT
SCHEMBL22747827 0.88 SMN1; SMN2 (0.42) NOTUMKMT2AGAANPC1RAB9A
SCHEMBL22760060 0.87 NOTUM (0.40) NOTUMKMT2AGAAMAPTNPC1
SCHEMBL22747915 0.87 ALDH1A1 (0.40) EDNRAKMT2AGAAMAPTRAB9A
SCHEMBL22760336 0.84 MAPK8 (0.41) KMT2AGAAMAPTNPC1RAB9A
SCHEMBL22747824 0.84 EDNRA (0.40) EDNRANOTUMKMT2AGAAMAPT
SCHEMBL22747903 0.83 RAB9A (0.38) KMT2AGAAMAPTNPC1RAB9A
SCHEMBL22760396 0.82 MAPT (0.35) KMT2AGAAMAPTNPC1RAB9A
SCHEMBL22760133 0.82 MAPK8 (0.46) MAPK8
SCHEMBL22760058 0.81 ALDH1A1 (0.39) NOTUMKMT2AGAAMAPTNPC1

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-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed