SCHEMBL8201608

SCHEMBL8201608

CCCCc1ccc(NC(=N)NC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PLK1 P53350 1/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
SPHK1 Q9NYA1 3/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL4980235 0.91 POLB (0.60) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4985473 0.84 THRA (0.60) ALDH1A1LMNASPHK1CA12CA1
SCHEMBL4980270 0.83 KDM4E (0.58) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14542726 0.82 SRC (0.49) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4099470 0.81 NR1H4 (0.56) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10789340 0.81 POLB (0.57) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5447804 0.81 POLB (0.57) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4100570 0.80 S1PR1 (0.51) POLBSMN1; SMN2SPHK1MAPTMAPK1
SCHEMBL27639092 0.79 CA12 (0.64) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4100884 0.79 S1PR1 (0.53) POLBSPHK1MAPTTHRATHRB

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-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed