SCHEMBL3341952

SCHEMBL3341952

Nc1ccc(C(=O)Nc2ccccc2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FADS1 O60427 2/20 0.51
PRKCI P41743 1/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
KLKB1 P03952 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS1 P23219 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL6815342 0.86 FADS1 (0.56) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL10428747 0.86 KMT2A (0.60) MEN1KMT2ALMNAKLKB1TDP1
SCHEMBL9173879 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL11505052 0.85 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9172162 0.84 JAK2 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL10428749 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AFADS1PTGS1
SCHEMBL3327224 0.83 TMPRSS4 (0.65) ALDH1A1MEN1KMT2AKDM4EFADS1
SCHEMBL22720135 0.83 HSPD1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11761604 0.83 NPC1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2957280 0.83 MEN1 (0.61) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed