SCHEMBL11273643

SCHEMBL11273643

CCn1cc(C(=O)O)c(=O)c2cc(C)sc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ABCC4 O15439 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 4/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.49
RAB9A P51151 1/20 0.49
CYP2D6 P10635 1/20 0.49
APEX1 P27695 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 3/20 0.45
DRD3 P35462 1/20 0.43
HIF1A Q16665 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL11578367 0.89 LMNA (0.43) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11579951 0.87 CNR2 (0.42) LMNAMEN1KMT2AABCC4PKM
SCHEMBL10664006 0.86 KDM4E (0.49) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11582138 0.85 ALDH1A1 (0.60) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL7470766 0.84 KDM4E (0.48) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11578999 0.84 KDM4E (0.51) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11555607 0.84 KDM4E (0.48) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11554330 0.84 KDM4E (0.48) LMNAMEN1KMT2AABCC4PKM
SCHEMBL10663680 0.83 KDM4E (0.47) LMNAMEN1KMT2AABCC4PKM
SCHEMBL10752279 0.82 KDM4E (0.46) LMNAMEN1KMT2AABCC4PKM

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 6 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
EP-0046990-A2 2-Halogeno-4-alkyl-4,7-dihydro-7-oxo-thieno(3,2-b)-pyridine-6-carboxylic acids, salts thereof at the carboxyl group, pharmaceutical use thereof, and intermediates thereof KANEBO, LTD. (JP) 1982-03-10 EP disclosed
US-4145418-A THIENOPYRIDINE SUBSTITUTED CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-20 US disclosed
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