SCHEMBL10690648

SCHEMBL10690648

COC(=O)CCCSc1nc(C)c(CC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 2/20 0.36
PTGS1 P23219 1/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
APEX1 P27695 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
SCHEMBL10685537 0.91 TSHR (0.39) TSHRMAPTALDH1A1RAB9AHTT
Tiprotimod SCHEMBL1684013 0.89 APEX1 (0.44) TSHRMAPTALDH1A1RAB9AHTT
SCHEMBL10690778 0.85 APEX1 (0.42) TSHRMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10685590 0.84 APEX1 (0.41) TSHRALDH1A1LMNASMN1; SMN2POLB
SCHEMBL13471446 0.82 MAPT (0.42) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL10694025 0.82 APEX1 (0.53) TSHRALDH1A1HTTSMN1; SMN2L3MBTL1
Tiprotimod SCHEMBL9509661 0.80 SMN1; SMN2 (0.35) TSHRMAPTALDH1A1RAB9AHTT
SCHEMBL10688579 0.79 LDHA (0.40) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL13766692 0.79 ALDH1A1 (0.36) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL10691175 0.79 TSHR (0.41) TSHRMAPTALDH1A1MEN1KMT2A

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
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed