SCHEMBL11270259

SCHEMBL11270259

O=C(CN1CCNCC1c1ccccc1)Nc1nc2cc3nc(NC(=O)CN4CCNCC4c4ccccc4)sc3cc2s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC27A1 Q6PCB7 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ CLK1 P49759 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL11261033 0.87 CSNK1D (0.48) KDM4E
SCHEMBL11254392 0.85 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KMT2ACLK1MEN1
SCHEMBL11269173 0.79 CLK1 (0.40) ALDH1A1SMN1; SMN2LMNAKMT2ACLK1
SCHEMBL11261947 0.77 DRD2 (0.54) ALDH1A1KDM4ESMN1; SMN2TSHRSLC27A1
SCHEMBL11251039 0.77 CLK1 (0.57) ALDH1A1KDM4ESMN1; SMN2TSHRKMT2A
SCHEMBL11252930 0.74 CLK1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL6301700 0.72 SIGMAR1 (0.42) ALDH1A1KDM4EUSP2TSHRKMT2A
SCHEMBL11270275 0.72 SLC27A1 (0.69) ALDH1A1SMN1; SMN2USP2LMNATSHR
SCHEMBL11254394 0.72 PKM (0.59) CLK1L3MBTL1
SCHEMBL11255823 0.71 HPGD (0.55) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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