SCHEMBL17205496

SCHEMBL17205496

O=C(CCCc1cccs1)NCc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.62
▸ TRPV1 Q8NER1 4/20 0.60
▸ HPGD P15428 4/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ LMNA P02545 1/20 0.49

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
SCHEMBL17205764 0.86 TRPV1 (0.66) USP2TRPV1HPGDRAB9APOLB
SCHEMBL17205973 0.86 USP2 (0.84) USP2TRPV1HPGDPOLBMAPT
SCHEMBL17203130 0.82 NPC1 (0.73) USP2TRPV1HPGDRAB9APOLB
SCHEMBL17205667 0.80 TRPV1 (0.67) USP2TRPV1HPGDRAB9APOLB
SCHEMBL13438260 0.78 USP2 (0.93) USP2HPGDPOLBMAPTTSHR
SCHEMBL16610101 0.77 GAA (0.66) RAB9AMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL17205675 0.77 TRPV1 (0.84) USP2TRPV1HPGDMAPTMEN1
SCHEMBL17206250 0.77 HPGD (0.75) USP2TRPV1HPGDRAB9APOLB
SCHEMBL22570479 0.76 USP2 (0.58) USP2TRPV1RAB9APOLBMAPT
SCHEMBL17205509 0.75 TRPV1 (1.00) TRPV1HPGDPOLBMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 — — WO claimed
WO-2015162216-A1 BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2015-10-29 — — WO disclosed
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