SCHEMBL12797972

SCHEMBL12797972

Brc1cc(Br)c(N2CCN=C2c2ccccc2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ PTAFR P25105 2/20 0.43
▸ GAA P10253 1/20 0.40
▸ DNMT1 P26358 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ UHRF1 Q96T88 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3821213 0.84 PTGS2 (0.50) PTGS2CA1CA2CA4CA7
SCHEMBL12757506 0.81 PTGS2 (0.41) PTGS2CA1CA2CA4CA7
SCHEMBL20960631 0.74 ALDH1A1 (0.58) CA1CA2CA4CA7PTAFR
SCHEMBL12757514 0.74 PTGS2 (0.43) PTGS2PTAFRGAAALDH1A1RECQL
SCHEMBL5121302 0.73 CA1 (0.66) PTGS2CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL1697524 0.72 CA1 (0.64) PTGS2CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL12502728 0.70 HDAC8 (0.56) PTGS2CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL12502636 0.68 HDAC8 (0.42) PTGS2CA1CA2CA4CA7
SCHEMBL8295470 0.67 CA1 (0.54) PTGS2CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL12502639 0.67 PTAFR (0.49) PTAFRDNMT1RAD52UHRF1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902374-B2 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2011-03-08 — — US disclosed
US-7902374-B2 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2011-03-08 — — US disclosed
US-20070088167-A1 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION 2007-04-19 — — US disclosed
US-20070088167-A1 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION 2007-04-19 — — US disclosed
Send feedback