SCHEMBL4270053

SCHEMBL4270053

BrCc1cccc(C2=C3C=CC(=N3)C(c3cccc(CBr)c3)=C3C=CC(=N3)C(c3cccc(CBr)c3)=C3C=CC(=N3)C(c3cccc(CBr)c3)=C3C=CC2=N3)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ TRPA1 O75762 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PRKCI P41743 1/20 0.31

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
SCHEMBL4266275 0.83 FOLH1 (0.35) PRKCI
SCHEMBL8865518 0.83 PNMT (0.39) —
SCHEMBL180350 0.80 TSHR (0.42) TRPA1ALDH1A1TSHR
SCHEMBL8865621 0.80 MMP3 (0.49) —
SCHEMBL4262947 0.76 MMP3 (0.31) —
SCHEMBL4260955 0.74 CYP2C9 (0.36) —
SCHEMBL8907747 0.74 SLC7A5 (0.44) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL249200 0.74 HSD17B1 (0.47) ALDH1A1
SCHEMBL5918888 0.74 MAOA (0.45) ALDH1A1TSHR
SCHEMBL5918887 0.74 IDO1 (0.39) —

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7518905-B2 High density memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-14 — — US disclosed
US-7061791-B2 High density molecular memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-06-13 — — US disclosed
US-20050041494-A1 High density non-volatile memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA AND NORTH CAROLINA STATE UNIVERSITY 2005-02-24 — — US disclosed
EP-0548235-A1 SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-30 — — EP disclosed
US-5217966-A Synthetic drug molecules that mimic metalloenzymes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-06-08 — — US disclosed
US-5202317-A SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-04-13 — — US disclosed
WO-1992005178-A1 SYNTHETIC DRUG MOLECULES THAT MIMIC METALLOENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-04-02 — — WO disclosed
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