SCHEMBL30979648

SCHEMBL30979648

Cc1cc(Nc2ccc(NC(=O)Cc3cccs3)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.66
▸ RAB9A P51151 4/20 0.66
▸ MAPT P10636 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ NPC1 O15118 3/20 0.66
▸ LMNA P02545 4/20 0.62
▸ HSD17B10 Q99714 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPK1 P28482 1/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SHMT2 P34897 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RECQL P46063 1/20 0.49
▸ ESR2 Q92731 1/20 0.49

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
SCHEMBL23859942 0.92 POLB (0.55) POLBRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL23867551 0.88 LMNA (0.61) POLBRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL23867479 0.87 POLB (0.49) POLBRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL23867487 0.82 MAPT (0.67) POLBMAPTLMNAHSD17B10ALDH1A1
SCHEMBL23867576 0.81 LMNA (0.52) POLBMAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL30234299 0.77 LMNA (0.65) POLBMAPTLMNAHSD17B10ALDH1A1
SCHEMBL31094221 0.77 LMNA (0.49) POLBMAPTSMN1; SMN2LMNAHSD17B10
SCHEMBL23867508 0.76 ALDH1A1 (0.55) RAB9AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL23867475 0.76 POLB (0.55) POLBRAB9AMAPTSMN1; SMN2NPC1
SCHEMBL972202 0.75 POLB (0.57) POLBRAB9AMAPTSMN1; SMN2NPC1

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
CN-118338898-A Small molecule inhibitors of oncogenic CHD1L with preclinical anti-colorectal cancer activity 科罗拉多州立大学董事会(法人团体) 2024-07-12 — — CN disclosed
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