SCHEMBL11580735

SCHEMBL11580735

Cc1cc2c(=O)c(C(=O)O)cn(C)c2s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL11580707 0.83 LMNA (0.38) LMNAALDH1A1TSHRHSD17B10KCNH2
SCHEMBL11557666 0.83 LMNA (0.38) LMNAKCNH2
SCHEMBL11582014 0.83 DAO (0.42) LMNAKMT2AKCNH2
SCHEMBL11578367 0.81 LMNA (0.43) LMNAALDH1A1MAPK1TSHRHSD17B10
SCHEMBL11273643 0.81 LMNA (0.51) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL11579951 0.79 CNR2 (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL9835125 0.75 HSD17B10 (0.43) LMNAALDH1A1MAPK1TSHRGFER
SCHEMBL11580726 0.73 KMT2A (0.42) LMNAALDH1A1MAPK1TSHRHSD17B10
SCHEMBL7479214 0.73 KCNH2 (0.65) LMNAKCNH2
SCHEMBL399326 0.70 LMNA (0.56) LMNAALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3951989-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-20 US claimed
US-4079060-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-03-14 US disclosed
US-3997545-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-12-14 US disclosed
US-3951989-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-20 US disclosed