SCHEMBL11071707

SCHEMBL11071707

Cc1c(-c2cccc(I)c2)n[nH]c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ MAP2K4 P45985 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPKAPK3 Q16644 2/20 0.42
▸ MAPK6 Q16659 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ METAP2 P50579 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ HPGDS O60760 1/20 0.36

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
SCHEMBL6822516 0.83 RAB9A (0.69) RAB9AMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL5317383 0.73 HDAC6 (0.56) RAB9AMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL6821694 0.72 RAB9A (0.44) RAB9AMAP2K4MAPTMEN1LMNA
SCHEMBL31412684 0.72 RAB9A (0.48) RAB9AMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4638325 0.71 RAB9A (0.70) RAB9AMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL5937211 0.70 RAB9A (0.49) RAB9AMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL28306041 0.69 HSD17B10 (0.45) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL28742838 0.69 RAB9A (0.48) RAB9AMAPTMEN1LMNAPKM
SCHEMBL11074145 0.69 RAB9A (0.48) RAB9AMAPTMEN1LMNAKMT2A
SCHEMBL23294383 0.68 PIN1 (0.47) RAB9AMAP2K4MAPK1MAPKAPK3MAPK6

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-0112623-A2 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions ELI LILLY AND COMPANY (US) 1984-07-04 — — EP disclosed
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