SCHEMBL9688726

SCHEMBL9688726

Cc1ccc(C(=S)c2cccn2CCI)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 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
SCHEMBL9688717 0.85 HDAC8 (0.38) ALDH1A1TSHRPOLBHPGDHTT
SCHEMBL9690017 0.85 ALDH1A1 (0.35) ALDH1A1TSHRPOLBHPGDHTT
SCHEMBL9688067 0.75 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL9689254 0.75 MEN1 (0.43) ALDH1A1TSHRKDM4EMAPK1MEN1
SCHEMBL9689156 0.73 NPSR1 (0.32) KDM4ELMNAMMP2MMP9
SCHEMBL9688758 0.70 MAPT (0.46) ALDH1A1POLBHPGDHDAC8HDAC6
SCHEMBL2719704 0.69 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL9689185 0.67 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9688698 0.67 RECQL (0.66) ALDH1A1TSHRPOLBMAPK1MEN1
SCHEMBL9689136 0.67 NPC1 (0.54) ALDH1A1HTTMAPK1MEN1KMT2A

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