SCHEMBL3845018

SCHEMBL3845018

COCOc1ccc(SC)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
S1PR4 O95977 1/20 0.33
KDM1A O60341 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A1 P04798 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP1B1 Q16678 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 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
SCHEMBL2894292 0.80 LMNA (0.47) SLC6A4SLC6A2SLC6A3RAB9ASMN1; SMN2
SCHEMBL9203482 0.79 MAPT (0.38) SLC6A4SLC6A2SLC6A3RAB9ANPC1
SCHEMBL8832399 0.78 CYP17A1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL2475470 0.78 MEN1 (0.48) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL8361642 0.78 THRA (0.42) SLC6A4SLC6A2SLC6A3RAB9ANPC1
SCHEMBL1509986 0.77 MRGPRX4 (0.46) SLC6A4SLC6A2RAB9ANPC1MAPT
SCHEMBL10453409 0.76 KCNN4 (0.39) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13088885 0.75 KDM1A (0.34) RAB9AALDH1A1POLBHPGDS1PR4
SCHEMBL5769814 0.75 S1PR4 (0.45) SLC6A4SLC6A2SLC6A3S1PR4MEN1
SCHEMBL4630357 0.75 CA12 (0.45) MAPTALDH1A1MEN1KMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed