SCHEMBL8851577

SCHEMBL8851577

CCNCCNC(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
NAAA Q02083 1/20 0.62
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
EPHX2 P34913 1/20 0.54
PRSS1 P07477 1/20 0.54
CTSG P08311 1/20 0.54
CTRB1 P17538 1/20 0.54
CMA1 P23946 1/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 1/20 0.54
RECQL P46063 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53

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
SCHEMBL18689914 0.88 LMNA (0.69) LMNAPOLBNAAAGAASMN1; SMN2
SCHEMBL8851817 0.87 DRD2 (0.68) LMNAPOLBNAAAGAASMN1; SMN2
SCHEMBL3192014 0.86 LMNA (0.77) LMNAPOLBNAAAGAASMN1; SMN2
SCHEMBL10872851 0.84 LMNA (0.69) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL14067433 0.83 LMNA (0.62) LMNAPOLBNAAAGAASMN1; SMN2
Benzene SCHEMBL28248159 0.82 NAAA (0.73) LMNAPOLBNAAAGAASMN1; SMN2
SCHEMBL334957 0.82 NAAA (0.73) LMNAPOLBNAAAGAASMN1; SMN2
SCHEMBL10872891 0.82 NPC1 (0.55) LMNAPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL10873630 0.82 CYP1A2 (0.62) LMNAPOLBGAASMN1; SMN2NPC1
SCHEMBL9475078 0.82 CYP1A2 (0.51) LMNAPOLBNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
EP-0199042-A1 Procainamide assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-10-29 EP disclosed