SCHEMBL19455723

SCHEMBL19455723

C=c1c2ccc3c4ccc5c6cccc7cccc(c8ccc(c9ccc(c(=O)n1CBr)c2c39)c4c58)c76

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ERBB2 P04626 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL14849938 0.76 KMT2A (0.38) AHRCYP1A2HSD17B10ALDH1A1THRB
SCHEMBL22182105 0.74 TDP1 (0.57) ALDH1A1HPGDTDP1TSHRSMN1; SMN2
SCHEMBL8961377 0.73 DHFR (0.48) AHRHSD17B10ALDH1A1HPGDTSHR
SCHEMBL17930255 0.72 CYP1A2 (0.33) AHRCYP1A2HSD17B10ALDH1A1THRB
SCHEMBL12020634 0.72 MAPK1 (0.49) CYP1A2HSD17B10ALDH1A1THRBHPGD
SCHEMBL19422173 0.70 CYP1B1 (0.47) CYP1A2HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL29297667 0.69 FEN1 (0.41) AHRCYP1A2HSD17B10ALDH1A1THRB
SCHEMBL14169090 0.69 KMT2A (0.41) AHRCYP1A2HSD17B10ALDH1A1THRB
SCHEMBL17281124 0.69 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL17281122 0.69 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1TSHRSMN1; SMN2

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-2017176510-A1 ELECTRO-POLARIZABLE COMPOUND AND CAPACITOR CAPACITOR SCIENCES INCORPORATED (US) 2017-10-12 — — WO disclosed
Send feedback