SCHEMBL28307753

SCHEMBL28307753

Nc1ccc2[nH]c(-c3nc4cc(N)ccc4[nH]3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.58
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ ALDH1A1 P00352 11/20 0.56
▸ SMN1; SMN2 Q16637 11/20 0.56
▸ KDM4E B2RXH2 10/20 0.56
▸ MAPT P10636 10/20 0.56
▸ NPC1 O15118 10/20 0.56
▸ RAB9A P51151 10/20 0.56
▸ GAA P10253 9/20 0.56
▸ GLA P06280 5/20 0.56
▸ GFER P55789 4/20 0.56
▸ RECQL P46063 2/20 0.56
▸ HPGD P15428 9/20 0.53
▸ POLB P06746 6/20 0.53
▸ HSD17B10 Q99714 6/20 0.53
▸ BLM P54132 4/20 0.53
▸ USP2 O75604 3/20 0.53

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
SCHEMBL1655753 0.90 MEN1 (0.73) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL30533210 0.90 MEN1 (0.73) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL159873 0.88 ALDH1A1 (0.74) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL28312335 0.88 ALDH1A1 (0.74) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL8769051 0.88 MEN1 (0.71) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL30307784 0.88 ALDH1A1 (0.74) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL30863444 0.87 ALDH1A1 (0.57) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL4496081 0.87 ALDH1A1 (0.57) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL12351269 0.85 MEN1 (0.76) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL20485560 0.85 AMY1A (0.51) MEN1KMT2ARXFP1CACNA1BAPBA1

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-107021930-B Synthesize 1H, 1`H-(2,2`- bisbenzimidazole) -5,5`- diamines method 常州市阳光药业有限公司 2019-07-26 — — CN disclosed
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