SCHEMBL11408043

SCHEMBL11408043

Sc1nc2n(n1)CCc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 6/20 0.40
TP53 P04637 5/20 0.40
PKM P14618 4/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 3/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 4/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FGB P02675 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 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
SCHEMBL11420919 0.81 RAB9A (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11407903 0.80 MAPT (0.43) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11421901 0.78 NPC1 (0.58) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11407425 0.76 RAB9A (0.40) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11246006 0.75 RAB9A (0.49) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11240902 0.75 NPC1 (0.59) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11409781 0.73 MAPT (0.39) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11416736 0.73 MAPT (0.39) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11408809 0.73 NPC1 (0.57) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL11417372 0.73 NPC1 (0.75) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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-RE30456-E ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-12-23 US disclosed
US-4075341-A 2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 US disclosed