SCHEMBL9805097

SCHEMBL9805097

COC(=O)c1c(-c2ccccc2)c[nH]c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 1.00
LMNA P02545 4/20 0.56
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
PRKCZ Q05513 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
NR4A2 P43354 2/20 0.46
NEK1 Q96PY6 1/20 0.46
SGK1 O00141 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
GRM6 O15303 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL29071906 0.87 HTT (0.77) HTTLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL9805088 0.84 HTT (0.73) HTTLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL29071892 0.84 HTT (0.73) HTTLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL30532583 0.83 HTT (0.71) HTTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28647270 0.81 HTT (0.69) HTTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL11169340 0.81 HTT (0.68) HTTLMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL6464873 0.81 HTT (0.68) HTTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL9433063 0.80 HTT (0.67) HTTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL11200539 0.80 HTT (0.67) HTTALDH1A1SMN1; SMN2MEN1KMT2A
Pyrrole SCHEMBL9864136 0.80 HTT (0.66) HTTLMNAALDH1A1RAB9ASMN1; SMN2

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-5049602-A Heat resistance HUELS AKTIENGESELLSCHAFT (DE) 1991-09-17 US disclosed
EP-0419794-A1 Costabilizers for vinyl chloride polymerisate based mouldings HÜLS AKTIENGESELLSCHAFT (DE) 1991-04-03 EP disclosed
EP-0419792-A1 Pyrroles as costabilizers for vinylchloride polymerisate based mouldings HÜLS AKTIENGESELLSCHAFT (DE) 1991-04-03 EP disclosed