SCHEMBL15048645

SCHEMBL15048645

C=CCc1c(Br)c(C=O)c2c(c1CC=C)-c1ccccc1C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K9 P80192 1/20 0.35
MAP3K11 Q16584 1/20 0.35
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PNMT P11086 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
SCHEMBL15048647 0.90 MAP3K9 (0.33) MAP3K9MAP3K11ADRA1DADRA1AADRA1B
SCHEMBL7166601 0.85 MAP3K9 (0.36) MAP3K9MAP3K11ADRA1DADRA1AADRA1B
SCHEMBL7166606 0.80 ADRA1D (0.34) MAP3K9MAP3K11ADRA1DADRA1AADRA1B
SCHEMBL28591544 0.74 MAP3K9 (0.36) MAP3K9MAP3K11ADRA1DADRA1AADRA1B
SCHEMBL30148130 0.71 MAP3K9 (0.42) MAP3K9MAP3K11PNMT
SCHEMBL300453 0.68 PNMT (0.45) MAP3K9MAP3K11ADRA1DADRA1AADRA1B
SCHEMBL10746261 0.65 GABRA1 (0.35) ADRA1DADRA1AADRA1B
SCHEMBL9578161 0.64 PNMT (0.44) ADRA1DADRA1AADRA1BPNMT
SCHEMBL28594775 0.63 PNMT (0.40) ADRA1DADRA1AADRA1BPNMT
SCHEMBL21295457 0.63 PNMT (0.46) ADRA1DADRA1AADRA1BPNMT

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
US-8471035-B1 Two-photon absorbing arylamine-endcapped and dialkylfluorene-bridged benzobisthiazole compounds with high oleophilicity THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2013-06-25 US disclosed