SCHEMBL21695021

SCHEMBL21695021

C[n+]1ccc(-c2cc[n+](CCCCCC(=O)ON3C(=O)CCC3=O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PSMB8 P28062 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ APAF1 O14727 1/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL14454729 0.85 HTT (0.41) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL18138134 0.81 KMT2A (0.36) KMT2AMEN1CYP1A2MAPTCYP2C9
SCHEMBL25018193 0.81 HTT (0.40) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1870550 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5
SCHEMBL16983769 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5
SCHEMBL379163 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5
SCHEMBL6046844 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5
SCHEMBL37833 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5
SCHEMBL4960230 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5
SCHEMBL905404 0.77 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2HTTPSMB8PSMB5

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-20200041437-A1 BIOSENSORS WITH pH-INDEPENDENT REDOX MOIETIES ECCRINE SYSTEMS, INC. (US) 2020-02-06 — — US disclosed
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