SCHEMBL23867475

SCHEMBL23867475

O=C(Cc1cccs1)Nc1ccc(Nc2ccnc(N3CCCC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 10/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ CTDSP1 Q9GZU7 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ BLM P54132 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ ESR2 Q92731 5/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ RECQL P46063 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL23867514 0.88 POLB (0.50) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23859942 0.84 POLB (0.55) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23867516 0.82 POLB (0.53) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23867506 0.79 ACHE (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPK8
SCHEMBL30234578 0.77 POLB (0.52) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23867477 0.77 POLB (0.52) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL30979648 0.76 POLB (0.66) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23867479 0.73 POLB (0.49) POLBSMN1; SMN2RAB9AMAPTNPC1
SCHEMBL23867573 0.73 PYGM (0.51) SMN1; SMN2ALDH1A1
SCHEMBL23867515 0.72 POLB (0.47) POLBSMN1; SMN2RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195279-A2 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-09-30 — — WO disclosed
Send feedback