SCHEMBL9689246

SCHEMBL9689246

O=C(c1cccs1)c1cccn1CCI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
HPGDS O60760 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 5/20 0.41
DAO P14920 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.41
GSK3B P49841 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
SCHEMBL9688864 0.85 TSHR (0.44) TSHRHPGDSMEN1KMT2AALDH1A1
SCHEMBL9689183 0.85 GSK3B (0.47) TSHRHPGDSMEN1KMT2AALDH1A1
SCHEMBL9689705 0.77 MAPT (0.35) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL9689163 0.77 RECQL (0.43) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL9688698 0.76 RECQL (0.66) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL9689185 0.76 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL9689245 0.76 HPGD (0.46) TSHRKMT2AALDH1A1NPC1RAB9A
SCHEMBL5216245 0.76 NPC1 (0.50) TSHRHPGDSMEN1KMT2AALDH1A1
SCHEMBL9689342 0.75 ALDH1A1 (0.43) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL9688824 0.73 TSHR (0.38) TSHRHPGDSMEN1KMT2AALDH1A1

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-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed