SCHEMBL6938200

SCHEMBL6938200

CC1=C(C)N(CC(=O)c2ccc(Br)cc2)CS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ GSK3B P49841 3/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GFER P55789 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ GAA P10253 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ PLIN1 O60240 1/20 0.42
▸ PLIN5 Q00G26 1/20 0.42
▸ ABHD5 Q8WTS1 1/20 0.42
▸ MGAM O43451 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41

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
Bromide SCHEMBL3851561 0.99 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL6535470 0.87 PTPN1 (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
Bromide SCHEMBL5004650 0.85 PTPN1 (0.42) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
Bromide SCHEMBL3845607 0.85 PTPN1 (0.42) ALDH1A1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL1820216 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL3849504 0.84 PTPN1 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Hydrochloric Acid SCHEMBL33828 0.84 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL2954276 0.84 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL6939128 0.82 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL3845606 0.82 ALDH1A1 (0.60) ALDH1A1MAPTRAB9AHTTGSK3B

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-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 — — EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 — — US claimed
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