SCHEMBL27367006

SCHEMBL27367006

Oc1ccc(NC(=S)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
RAB9A P51151 6/20 0.69
HPGD P15428 3/20 0.69
GAA P10253 7/20 0.64
KMT2A Q03164 4/20 0.64
LMNA P02545 4/20 0.64
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
THRB P10828 2/20 0.56
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX12 P18054 1/20 0.53

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
SCHEMBL10382103 0.92 GAA (0.64) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL557621 0.87 NPC1 (0.73) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL9244235 0.87 NPC1 (0.58) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL9317188 0.85 NPC1 (0.70) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL9317189 0.85 NPC1 (0.70) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL10978008 0.82 NPC1 (0.71) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL28901021 0.82 NPC1 (0.67) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL30161852 0.82 NPC1 (1.00) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL27348904 0.82 RAB9A (0.67) NPC1RAB9AHPGDGAAKMT2A
SCHEMBL8343628 0.82 NPC1 (0.67) NPC1RAB9AHPGDGAAKMT2A

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
CN-1054803-C Polycarbonic acid ester resin layered products absorbing near-infrared and formed products made of same DAICEL CHEM (JP) 2000-07-26 CN disclosed
CN-1094354-A Polycarbonate-based resin laminate of absorption near infrared ray and formed body thereof DAICEL CHEM (JP) 1994-11-02 CN disclosed