SCHEMBL4544055

SCHEMBL4544055

CCNC(=O)Nc1nc2c(F)c(-c3ccc(N4CCN(CC(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HBB P68871 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SLC27A1 Q6PCB7 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACVR1B P36896 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37

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
Hydrochloric Acid SCHEMBL4542422 0.99 LMNA (0.40) LMNASMN1; SMN2MEN1KMT2AHBB
SCHEMBL1849172 0.92 TNF (0.37) LMNASMN1; SMN2MEN1KMT2AHBB
SCHEMBL1842060 0.91 TNF (0.37) LMNASMN1; SMN2MEN1KMT2AHBB
SCHEMBL1846424 0.91 ACVR1B (0.44) SMN1; SMN2ACHEP2RX7NPC1RAB9A
SCHEMBL1846451 0.89 PIK3CA (0.45) ABL1ALDH1A1CNR2
SCHEMBL1844044 0.89 HDAC2 (0.45) SMN1; SMN2NPC1RAB9AABL1ACVR1B
SCHEMBL1840483 0.89 ABL1 (0.37) ABL1CNR2
Hydrochloric Acid SCHEMBL1841930 0.88 ABL1 (0.36) ABL1CNR2
Hydrochloric Acid SCHEMBL1843751 0.87 ACHE (0.43) LMNASMN1; SMN2MEN1KMT2AHBB
Lithium Ion SCHEMBL1842051 0.85 ACHE (0.36) LMNASMN1; SMN2MEN1KMT2AHBB

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-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — WO disclosed
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