SCHEMBL1120535

SCHEMBL1120535

Clc1ccc(NNCCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CNR1 P21554 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
TP53 P04637 2/20 0.53
GAA P10253 1/20 0.53
SIGMAR1 Q99720 4/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CNR2 P34972 1/20 0.48
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
PRMT1 Q99873 1/20 0.44
GRIN2B Q13224 1/20 0.43

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
Hydrochloric Acid SCHEMBL6419975 0.81 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2ACNR1ALDH1A1
SCHEMBL989796 0.80 TAAR1 (0.55) SMN1; SMN2MEN1KMT2ACNR1MAPT
SCHEMBL28980137 0.78 MAPT (0.53) SMN1; SMN2MEN1KMT2ACNR1ALDH1A1
SCHEMBL10395208 0.77 SIGMAR1 (0.73) MEN1KMT2ASIGMAR1
SCHEMBL6237452 0.75 L3MBTL1 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL10812127 0.75 HTR2A (0.60) SMN1; SMN2MEN1KMT2ACNR1ALDH1A1
SCHEMBL5010087 0.74 CNR1 (0.53) SMN1; SMN2MEN1KMT2ACNR1ALDH1A1
SCHEMBL3907319 0.74 L3MBTL1 (0.70) SMN1; SMN2MEN1KMT2ACNR1ALDH1A1
SCHEMBL9523328 0.74 SIGMAR1 (0.70) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL22834239 0.73 CNR1 (1.00) SMN1; SMN2MEN1KMT2ACNR1ALDH1A1

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
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed