SCHEMBL8312176

SCHEMBL8312176

COc1cccc(S(=O)(=O)Nc2ccc(-c3ccnc(Nc4ccc(C(=O)N5CCN(C(C)=O)CC5)cc4)n3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
PKM P14618 3/20 0.60
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
FGFR4 P22455 1/20 0.53
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
USP2 O75604 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
MTOR P42345 1/20 0.50
SMG1 Q96Q15 1/20 0.50
IKBKB O14920 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL8311370 0.90 MTOR (0.52) ALDH1A1LMNASMN1; SMN2HTTMTOR
SCHEMBL14021344 0.89 BRAF (0.55) ALDH1A1PKMMTORSMG1IKBKB
SCHEMBL4062111 0.89 IKBKB (0.52) LMNASMN1; SMN2USP2ALOX15HTT
SCHEMBL8311593 0.87 ABL1 (0.53) ALDH1A1LMNAABL1BCRMTOR
SCHEMBL14071746 0.87 MTOR (0.49) ALDH1A1PKMLMNASMN1; SMN2GAA
SCHEMBL14063812 0.86 MTOR (0.51) ALDH1A1PKMABL1BCRMTOR
SCHEMBL8308563 0.86 IKBKB (0.54) LMNASMN1; SMN2GAAHTTMTOR
SCHEMBL8311025 0.84 HTT (0.58) ALDH1A1PKMLMNASMN1; SMN2HTT
SCHEMBL14063805 0.84 IKBKB (0.54) LMNASMN1; SMN2HTTMTORSMG1
SCHEMBL14063902 0.84 IKBKB (0.54) LMNASMN1; SMN2HTTMTORSMG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed