SCHEMBL23024871

SCHEMBL23024871

Clc1cccc(-c2nc3c(s2)C=CCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL15933590 0.69 PDCD1 (0.50) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL2073156 0.69 KMT2A (0.43) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL2096169 0.67 KMT2A (0.61) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL2089021 0.67 KMT2A (0.54) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL2089024 0.66 KMT2A (0.64) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL21891101 0.65 RAB9A (0.67) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL28501886 0.65 RAB9A (0.50) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL28015179 0.65 ADORA3 (0.47) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL28015748 0.64 ADORA3 (0.49) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL2221466 0.63 SMN1; SMN2 (0.61) KMT2ANPC1POLBRAB9ASMN1; SMN2

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-2021033970-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 — — WO disclosed
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