SCHEMBL6984185

SCHEMBL6984185

CC(C)N(CCNC(=O)c1csc(NC(=O)c2ccc(C#N)cc2)n1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
ACHE P22303 2/20 0.57
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HPGD P15428 1/20 0.43
GLA P06280 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
MAP2K1 Q02750 1/20 0.42
NPC1 O15118 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
Hydrochloric Acid SCHEMBL8311791 0.99 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
SCHEMBL6978218 0.95 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
SCHEMBL6982324 0.89 ACHE (0.56) SMN1; SMN2KDM4EALDH1A1ACHEMAPK1
Hydrochloric Acid SCHEMBL8156063 0.88 ACHE (0.56) SMN1; SMN2KDM4EALDH1A1ACHEMAPK1
SCHEMBL6976891 0.88 ACHE (0.61) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
Hydrochloric Acid SCHEMBL8150216 0.87 ACHE (0.61) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
SCHEMBL6985901 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
Hydrochloric Acid SCHEMBL6973524 0.86 ACHE (0.60) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
SCHEMBL6983031 0.86 ACHE (0.64) SMN1; SMN2KDM4EALDH1A1ACHEMAPT
SCHEMBL6977695 0.85 ACHE (0.56) SMN1; SMN2KDM4EALDH1A1ACHEMAPT

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
EP-0934938-B1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2003-01-15 EP disclosed