SCHEMBL17874480

SCHEMBL17874480

CCCCOC(=O)c1ccc(-c2ccc(Br)c3nsnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ RNASEL Q05823 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ STS P08842 7/20 0.46
▸ HPGD P15428 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL28928731 0.88 ALDH1A1 (0.47) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL17874479 0.83 LMNA (0.46) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL31426906 0.80 CA12 (0.51) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL5028687 0.75 ESR1 (0.77) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL13996230 0.75 ESR1 (0.77) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL32680945 0.74 MAPT (0.37) LMNAMAPK1SMN1; SMN2MAPTTP53
SCHEMBL9678893 0.74 ESR1 (0.66) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL37476 0.73 ESR1 (0.85) ESR1LMNACYP1A2TSHRCYP2C19
SCHEMBL24803020 0.72 EGFR (0.51) LMNATSHRMAPTMEN1KMT2A
SCHEMBL7999502 0.72 ESR1 (0.72) ESR1LMNACYP1A2TSHRCYP2C19

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-20160185968-A1 ORGANIC DYES HAVING RIGID DONOR, PROCESS FOR PRODUCING THE SAME, AND DYE-SENSITIZED SOLAR CELL CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 — — US disclosed
US-20160185968-A1 ORGANIC DYES HAVING RIGID DONOR, PROCESS FOR PRODUCING THE SAME, AND DYE-SENSITIZED SOLAR CELL CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 — — US disclosed
US-9376567-B1 Organic dyes having rigid donor, process for producing the same, and dye-sensitized solar cell CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-06-28 — — US disclosed
US-9376567-B1 Organic dyes having rigid donor, process for producing the same, and dye-sensitized solar cell CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2016-06-28 — — US disclosed
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