SCHEMBL5133913

SCHEMBL5133913

CC(CBr)CNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ DNM1 Q05193 2/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL489425 0.81 MAPT (0.47) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL27787299 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3957592 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL28291905 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL10982843 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL17710427 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL10078834 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3542022 0.79 MAPT (0.46) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL7950616 0.79 MAPT (0.50) MAPTALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL902381 0.79 SIGMAR1 (0.50) MAPTL3MBTL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 — — EP disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
Send feedback