SCHEMBL11070855

SCHEMBL11070855

COC(=O)c1[nH]nc(-c2ccc(Br)cc2)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.44
TP53 P04637 2/20 0.43
DUSP3 P51452 1/20 0.43
SLC6A3 Q01959 1/20 0.42
F2 P00734 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 2/20 0.41
MAP2K4 P45985 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
ALPL P05186 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRKCZ Q05513 1/20 0.39

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
SCHEMBL11074145 0.83 RAB9A (0.48) RAB9AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL19715740 0.81 RAB9A (0.48) RAB9AMAPTALDH1A1MAPK1TP53
SCHEMBL14712058 0.79 HSP90AA1 (0.56) RAB9AMAPTALDH1A1MAPK1TP53
SCHEMBL7975685 0.77 MAPT (0.41) RAB9AMAPTALDH1A1TP53DUSP3
SCHEMBL7978314 0.75 KDM4C (0.53) RAB9AMAPTALDH1A1MAPK1POLB
SCHEMBL29544871 0.73 HPGDS (0.41) RAB9AALDH1A1MAPK1MAP2K4KDM4C
SCHEMBL10172559 0.73 GAA (0.44) RAB9AMAPTALDH1A1TP53ALPL
SCHEMBL9284693 0.73 CHEK1 (0.44) RAB9AMAPTTP53SMN1; SMN2MEN1
SCHEMBL9183883 0.73 CNR1 (0.47) RAB9AMAPTALDH1A1MAPK1MAP2K4
SCHEMBL25171648 0.72 DUSP3 (0.56) RAB9AMAPTALDH1A1DUSP3SMN1; SMN2

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