SCHEMBL22832281

SCHEMBL22832281

O=C(Br)c1cccc2cc3c(C(=O)Br)cccc3cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ GAA P10253 1/20 0.57
▸ PTPN1 P18031 2/20 0.46
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ GRIN2D O15399 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MMP3 P08254 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL2475275 0.82 NR4A1 (0.65) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL22832309 0.82 KDM4E (0.47) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL11318431 0.80 NR4A1 (0.44) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL29600450 0.79 NR4A1 (0.68) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL71960 0.79 NR4A1 (0.68) ALDH1A1KDM4EGAAPTPN1NR4A1
Hydrochloric Acid SCHEMBL4607125 0.77 PTPN1 (0.66) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL22832270 0.77 KDM4E (0.57) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL10391094 0.77 KDM4E (0.57) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL4607123 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGAAPTPN1NR4A1
SCHEMBL29860832 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EGAAPTPN1NR4A1

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-20200407508-A1 METHOD FOR PRODUCING FIBERS, FILMS AND MOLDINGS OF A POLYBENZAZOLE POLYMER (P) BASF SE (DE) 2020-12-31 — — US disclosed
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