SCHEMBL9878600

SCHEMBL9878600

CSc1nc(=O)c2c([nH]1)CCCC2.Cc1ccccc1Nc1nc(=O)c2c([nH]1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PDE9A O76083 2/20 0.41
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
METAP2 P50579 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL9878442 0.91 MEN1 (0.53) MEN1KMT2APDE9AMAPTLMNA
SCHEMBL9878956 0.79 ALDH1A1 (0.50) KMT2AMAPTLMNASMN1; SMN2HTT
SCHEMBL9878603 0.78 SMN1; SMN2 (0.56) MEN1KMT2APDE9AMAPTLMNA
SCHEMBL9879427 0.76 MEN1 (0.51) MEN1KMT2APDE9AMAPTLMNA
SCHEMBL9878901 0.74 EGFR (0.49) MEN1KMT2AMAPTLMNANPC1
SCHEMBL9879085 0.73 MEN1 (0.53) MEN1KMT2APDE9AMAPTLMNA
SCHEMBL9878449 0.71 MAPT (0.66) MEN1KMT2APDE9AMAPTLMNA
SCHEMBL2495418 0.69 MAPT (0.49) KMT2AMAPTLMNATP53NPC1
SCHEMBL9879014 0.69 KMT2A (0.60) MEN1KMT2APDE9AMAPTNPC1
SCHEMBL880472 0.67 NPC1 (0.68) MAPTLMNATP53NPC1RAB9A

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
WO-1991018887-A1 DIAMINOPYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1991-12-12 WO disclosed