SCHEMBL19708400

SCHEMBL19708400

CC(C)c1c[nH]c2c(Br)cc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ PARP14 Q460N5 1/20 0.33
▸ GUSB P08236 1/20 0.31
▸ SRC P12931 1/20 0.30

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
SCHEMBL5673618 0.83 GABRA1 (0.39) GABRA1GABRB1PARP14
SCHEMBL9283757 0.81 GABRA1 (0.38) GABRA1GABRB1PARP14
SCHEMBL9285107 0.78 GABRA1 (0.39) GABRA1GABRB1
Lithium Ion SCHEMBL19328316 0.77 GABRA1 (0.36) GABRA1GABRB1PARP14
SCHEMBL9288270 0.76 AKR1C3 (0.39) GABRA1GABRB1PARP14
SCHEMBL19328315 0.75 AKR1C4 (0.38) GABRA1GABRB1PARP14
Lithium SCHEMBL17802201 0.75 AKR1C3 (0.38) GABRA1GABRB1PARP14
SCHEMBL17802163 0.73 NR4A2 (0.49) GABRA1GABRB1PARP14
SCHEMBL25369531 0.72 CYP3A4 (0.41) GABRA1GABRB1
SCHEMBL3156224 0.72 SRC (0.54) GUSBSRC

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-2017212345-A2 DETECTING MICROBIAL INFECTION IN WOUNDS SYNOVO GMBH (DE) 2017-12-14 — — WO disclosed
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