SCHEMBL11686933

SCHEMBL11686933

ClC(Cl)(Cl)c1ccc2ccc(Sc3ccccc3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ MAOA P21397 3/20 0.40
▸ MAOB P27338 3/20 0.40
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL3281214 0.76 LMNA (0.52) MAOAMAOBLMNASMN1; SMN2MAPT
SCHEMBL1538590 0.76 PTPN1 (0.48) TSHRALDH1A1PTPN1
SCHEMBL7534910 0.74 TSHR (0.46) TSHRALDH1A1PTPN1
SCHEMBL7708311 0.74 MAOA (0.48) MAOAMAOBLMNASMN1; SMN2MAPT
SCHEMBL6512980 0.71 PDE7A (0.41) TSHRSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL11757526 0.71 TSHR (0.55) TSHRPTPN1
SCHEMBL6522327 0.70 TSHR (0.39) TSHRSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL5069170 0.70 TSHR (0.46) TSHRMAOAMAOBSMN1; SMN2MAPT
Isobutane SCHEMBL27649309 0.69 UGT2B7 (0.44) TSHRLMNAHTR2CPTPN1MEN1
SCHEMBL6513987 0.69 TSHR (0.38) TSHRSMN1; SMN2MAPTALDH1A1HPGD

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-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 — — US disclosed
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