SCHEMBL21301451

SCHEMBL21301451

Cc1ccn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4oc3=O)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.62
NPC1 O15118 11/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPT P10636 4/20 0.62
POLB P06746 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
ESR1 P03372 1/20 0.49
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 9/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL15068786 1.00 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15069417 0.92 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15068816 0.92 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15069050 0.90 NPC1 (0.48) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15068439 0.89 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15068795 0.88 NPC1 (0.47) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15069279 0.88 NPC1 (0.55) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15068831 0.88 NPC1 (0.62) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL21301201 0.87 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15069843 0.87 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPTPOLB

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
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed