SCHEMBL7956332

SCHEMBL7956332

CCCCCCCCCCCCNC(=O)c1ccnc(-c2cc(C(=O)NCCCCCCCCCCCC)ccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.68
KDM5A P29375 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
KDM5B Q9UGL1 2/20 0.54
KDM5C P41229 1/20 0.54
MLYCD O95822 1/20 0.52
SMYD2 Q9NRG4 1/20 0.52
CA2 P00918 1/20 0.51
ALDH1A1 P00352 2/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 1/20 0.49
XDH P47989 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL7966788 1.00 NAAA (0.68) NAAAKDM5ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL20164076 0.94 SMN1; SMN2 (0.69) NAAAKDM5ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL9792819 0.88 KDM4E (0.64) NAAAKDM5ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL7468713 0.83 NAAA (0.62) NAAAKDM5ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL6535127 0.83 SMN1; SMN2 (0.87) NAAASMN1; SMN2L3MBTL1MLYCDCA2
SCHEMBL131829 0.83 SMN1; SMN2 (0.87) NAAASMN1; SMN2L3MBTL1MLYCDCA2
SCHEMBL10779959 0.81 NAAA (1.00) NAAASMN1; SMN2KDM4EL3MBTL1MLYCD
SCHEMBL3246597 0.81 NAAA (1.00) NAAASMN1; SMN2KDM4EL3MBTL1MLYCD
SCHEMBL3893523 0.81 NAAA (1.00) NAAASMN1; SMN2KDM4EL3MBTL1MLYCD
SCHEMBL29067687 0.81 NAAA (1.00) NAAASMN1; SMN2KDM4EL3MBTL1MLYCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed