SCHEMBL1574435

SCHEMBL1574435

CCCCCc1cnc2[nH]ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL10077301 0.80 ALDH1A1 (0.40) RAB9AMAPTSMN1; SMN2NPC1FGFR1
SCHEMBL15020668 0.78 GPR84 (0.41) PTGS2CYP3A4KMT2A
SCHEMBL3263731 0.78 KDR (0.61) L3MBTL1TDP1FGFR1KDR
SCHEMBL14402704 0.75 GRIN2B (0.48) TDP1RAB9AMAPTKDM4EMEN1
SCHEMBL9228354 0.74 GRIN2B (0.47) TDP1RAB9AMAPTKDM4EMEN1
SCHEMBL2484621 0.74 TLR8 (0.40) PTGS2CYP3A4L3MBTL1TDP1RAB9A
SCHEMBL1424104 0.74 NOS3 (0.39) PTGS2CYP3A4L3MBTL1TDP1RAB9A
SCHEMBL28495876 0.74 GRIN2B (0.47) TDP1RAB9AMAPTKDM4EMEN1
SCHEMBL15886704 0.74 L3MBTL1 (0.44) PTGS2CYP3A4L3MBTL1TDP1RAB9A
SCHEMBL9226687 0.73 TLR8 (0.42) PTGS2CYP3A4L3MBTL1TDP1

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-2305274-A1 Use of WNT stimulators for treating demyelinating diseases Centre National de la Recherche Scientifique (CNRS) (FR) 2011-04-06 — — EP disclosed
US-20080261821-A1 Mechanism-Based Crosslinkers THE REGENTS OF TE UNIVERSITY OF CALIFORNIA (US) 2008-10-23 — — US disclosed
Send feedback