SCHEMBL4783422

SCHEMBL4783422

c1ccc(-c2cnc3n2CCCCC3)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.94
HTT P42858 4/20 0.94
LMNA P02545 3/20 0.94
MAPT P10636 2/20 0.94
ALDH1A1 P00352 2/20 0.94
NPC1 O15118 2/20 0.94
MEN1 O00255 2/20 0.94
KMT2A Q03164 2/20 0.94
KDM4E B2RXH2 1/20 0.94
NPSR1 Q6W5P4 1/20 0.94
TDP1 Q9NUW8 1/20 0.94
SMN1; SMN2 Q16637 2/20 0.72
MAPK1 P28482 2/20 0.72
RAB9A P51151 2/20 0.62
AR P10275 1/20 0.62
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL4785098 1.00 HPGD (0.94) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4783720 0.98 HPGD (0.91) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL948758 0.85 HPGD (0.70) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4784543 0.84 SMN1; SMN2 (1.00) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4779855 0.84 SMN1; SMN2 (1.00) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4785255 0.82 SMN1; SMN2 (0.70) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4803313 0.82 SMN1; SMN2 (0.70) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4783580 0.82 SMN1; SMN2 (0.97) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL24370316 0.80 LMNA (0.68) HPGDHTTLMNAMAPTALDH1A1
SCHEMBL4783677 0.80 SMN1; SMN2 (0.68) HPGDHTTLMNAMAPTALDH1A1

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
WO-2008064136-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-05-29 WO disclosed
WO-2008064136-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-05-29 WO disclosed