SCHEMBL19902783

SCHEMBL19902783

CCCc1ccc(NC(=N)c2ccncc2CC)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NAMPT P43490 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL19902756 0.73 BLM (0.42) L3MBTL1KDRNPC1RAB9ANAMPT
SCHEMBL19902755 0.73 KMT2A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4550165 0.71 KMT2A (0.47) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL2619355 0.70 SMN1; SMN2 (0.52) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10272562 0.69 L3MBTL1 (0.55) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL19902767 0.69 RAB9A (0.44) L3MBTL1NPC1RAB9ANAMPTSMN1; SMN2
SCHEMBL19902764 0.68 NPSR1 (0.46) SGMS2NPC1RAB9ANAMPTSMN1; SMN2
SCHEMBL11004089 0.66 TDP1 (0.42) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22811167 0.66 RRM2 (0.34) SMN1; SMN2MAPTLMNAAURKA
SCHEMBL16491929 0.65 MEN1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1

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-3033337-B1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed