SCHEMBL5067150

SCHEMBL5067150

COc1cc(N)c(Br)cc1C(=O)O.Nc1ccc(C(=O)O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 4/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PKM P14618 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CYP1A2 P05177 2/20 0.43

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
SCHEMBL5067153 0.85 HDAC1 (0.43) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL866041 0.83 LCK (0.59) HTTLMNAALDH1A1PKMLCK
SCHEMBL2596409 0.79 ALDH1A1 (0.54) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL27685955 0.77 LCK (0.65) HTTLMNAALDH1A1CA12CA1
SCHEMBL29367661 0.77 HDAC1 (0.63) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL97816 0.77 HDAC1 (0.63) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL4600091 0.74 LCK (0.59) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL30316008 0.74 LCK (0.59) HTTLMNARAB9AMAPK1ALDH1A1
SCHEMBL3343357 0.73 ACHE (0.53) HTTLMNAALDH1A1PKMLCK
Hydrochloric Acid SCHEMBL10978550 0.73 LCK (0.58) HTTLMNARAB9AMAPK1ALDH1A1

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
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed