SCHEMBL17206342

SCHEMBL17206342

Cc1cc(N2C=CNC(Cl)=C2)sc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3425861 0.65 DAO (0.48) RORCDAOALDH1A1HPGDTSHR
SCHEMBL17206345 0.65 RORC (0.38) RORCDAOALDH1A1HPGDTSHR
SCHEMBL2185504 0.64 ALDH1A1 (0.41) RORCDAOALDH1A1HPGDTSHR
SCHEMBL4025384 0.62 RORC (0.35) RORCDAOALDH1A1TSHRKDM4E
SCHEMBL27756804 0.61 RORC (0.44) RORCALDH1A1HPGDTSHRKDM4E
SCHEMBL3119596 0.61 PIK3CD (0.56) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL5104631 0.61 PKM (0.52) DAOALDH1A1HPGDTSHRBCL2L1
SCHEMBL3093344 0.60 DAO (0.65) DAOALDH1A1HPGDBCL2L1KDM4E
SCHEMBL3903860 0.59 MAPT (0.39) DAOALDH1A1HPGDTSHRBCL2L1
SCHEMBL12917930 0.58 DAO (0.42) DAOALDH1A1HPGDTSHRBCL2L1

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
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed