SCHEMBL8555548

SCHEMBL8555548

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC#N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8553780 0.83 NPC1 (0.36) LMNAKMT2ANPC1NFKB1RAB9A
SCHEMBL8603712 0.82 NR1I2 (0.37) LMNAKMT2AMAPTNPC1NFKB1
SCHEMBL8661865 0.80 NPC1 (0.34) LMNAKMT2AMAPTNPC1NFKB1
SCHEMBL8604570 0.79 HDAC6 (0.38) KMT2ANPC1NFKB1RAB9ANFKB2
SCHEMBL9090532 0.79 KMT2A (0.34) LMNAKMT2ANPC1NFKB1RAB9A
SCHEMBL8553057 0.79 KMT2A (0.34) LMNAKMT2ANPC1NFKB1RAB9A
SCHEMBL8551826 0.79 FFAR4 (0.44) KMT2A
SCHEMBL8553434 0.78 MEN1 (0.36) LMNAKMT2ANPC1NFKB1RAB9A
SCHEMBL8553882 0.78 HDAC6 (0.37) KMT2ANPC1NFKB1RAB9ANFKB2
SCHEMBL8555533 0.77 KMT2A (0.32) LMNAKMT2ANPC1NFKB1RAB9A

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-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed