SCHEMBL2559991

SCHEMBL2559991

O=Cc1cc(-c2ccc(C(=O)O)cn2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.55
P4HA1 P13674 3/20 0.54
P4HTM Q9NXG6 2/20 0.54
BAZ2B Q9UIF8 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MIF P14174 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL2557769 0.79 KDM5C (0.54) P4HA1GABRPGABRDGABRA1GABRB1
SCHEMBL2552759 0.78 ERN1 (0.51) NPC1RAB9ATP53ALDH1A1KDM4E
SCHEMBL22332190 0.77 P4HA1 (0.76) LDHAP4HA1P4HTMBAZ2BNPC1
SCHEMBL2557775 0.76 P4HA1 (0.58) LDHAP4HA1P4HTMMIFGABRP
SCHEMBL2559168 0.75 ERN1 (0.34) P4HA1P4HTMNPC1RAB9AALDH1A1
SCHEMBL2551254 0.75 LDHA (0.67) LDHAP4HA1P4HTMBAZ2BNPC1
SCHEMBL8521766 0.75 LDHA (0.85) LDHAP4HA1P4HTMBAZ2BNPC1
SCHEMBL2557229 0.73 LDHA (0.64) LDHAP4HA1P4HTMBAZ2BNPC1
SCHEMBL18003462 0.73 KIF11 (0.44) ALDH1A1KDM4E
SCHEMBL30753641 0.73 LDHA (0.81) LDHAP4HA1P4HTMBAZ2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed