SCHEMBL5317383

SCHEMBL5317383

Cc1c(-c2ccc(F)cc2)n[nH]c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.56
▸ RAB9A P51151 1/20 0.52
▸ MAPK1 P28482 3/20 0.48
▸ MAP2K4 P45985 3/20 0.48
▸ MAPK6 Q16659 2/20 0.48
▸ CA12 O43570 1/20 0.46
▸ ALPL P05186 1/20 0.46
▸ RPA1 P27694 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HAO2 Q9NYQ3 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK13 O15264 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ MAPK12 P53778 1/20 0.40

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 0.85 RAB9A (0.69) HDAC6RAB9AMAPK1MAP2K4MAPK6
SCHEMBL5317300 0.81 HDAC6 (0.54) HDAC6RAB9AMAPK1ALDH1A1MAPT
SCHEMBL5937211 0.80 RAB9A (0.49) HDAC6RAB9AMAPK1MAP2K4MAPK6
SCHEMBL14705874 0.77 HAO1 (0.49) HDAC6MAPK1MAP2K4MAPK6CA12
SCHEMBL6821694 0.76 RAB9A (0.44) HDAC6RAB9AMAP2K4ALPLALDH1A1
SCHEMBL31412684 0.76 RAB9A (0.48) HDAC6RAB9AMAPK1MAP2K4MAPK6
SCHEMBL25210468 0.75 ALDH1A1 (0.47) HDAC6MAP2K4ALPLALDH1A1HAO2
SCHEMBL23294515 0.75 HAO1 (0.48) MAPK1MAP2K4MAPK6CA12ALPL
SCHEMBL4721643 0.74 MAPK14 (0.46) BCL2L1BADDHODHSMN1; SMN2MAPK13
SCHEMBL19806684 0.74 RAB9A (0.59) HDAC6RAB9AMAPK1MAP2K4ALDH1A1

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
WO-2007079086-A1 PYRAZOLOALKYL SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-12 — — WO disclosed
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