SCHEMBL10056892

SCHEMBL10056892

CCc1ccc2c(=O)c3cc(C(=O)OC)ccc3oc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.54
▸ NPC1 O15118 10/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.54
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 3/20 0.48
▸ TBK1 Q9UHD2 3/20 0.43
▸ IKBKE Q14164 1/20 0.43
▸ TNKS O95271 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER3 P43115 1/20 0.39

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
SCHEMBL69937 0.79 NPC1 (0.58) RAB9ANPC1KMT2AMEN1TNKS
SCHEMBL11860960 0.78 KMT2A (0.50) RAB9ANPC1RXFP1KMT2AMEN1
SCHEMBL11319698 0.77 KDM4E (0.56) RAB9ANPC1KMT2AMEN1TNKS
SCHEMBL11319692 0.73 NPC1 (0.71) RAB9ANPC1KMT2AMEN1TNKS
SCHEMBL11868305 0.73 NPC1 (0.66) RAB9ANPC1KMT2AMEN1TNKS
SCHEMBL11866301 0.73 THRB (0.54) RAB9ANPC1RXFP1KMT2AMEN1
SCHEMBL8949520 0.73 MAOA (0.56) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL20317213 0.73 NPC1 (0.55) RAB9ANPC1KMT2AMEN1TNKS
SCHEMBL11815286 0.72 NPC1 (0.54) RAB9ANPC1RXFP1KMT2AMEN1
SCHEMBL68516 0.72 CA1 (0.53) RAB9ANPC1KMT2AMEN1TNKS

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-20120115128-A1 SELECTIVE PROTEIN LABELING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2012-05-10 — — US disclosed
Send feedback