SCHEMBL11716601

SCHEMBL11716601

N=c1n(CCCc2ccc(Cl)cc2)c2ccccc2n1CCCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.63
ALDH1A1 P00352 1/20 0.61
CXCR3 P49682 6/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 3/20 0.46
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1170639 0.80 SLC5A2 (0.78) SLC5A2ALDH1A1CXCR3LMNASMN1; SMN2
SCHEMBL23241767 0.80 SLC5A2 (0.68) SLC5A2ALDH1A1CXCR3LMNASMN1; SMN2
SCHEMBL2495164 0.78 SLC5A2 (0.64) SLC5A2ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL17761715 0.78 TP53 (0.65) SLC5A2ALDH1A1LMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11713502 0.78 LMNA (0.52) SLC5A2ALDH1A1CXCR3LMNASMN1; SMN2
SCHEMBL11712251 0.76 LMNA (0.67) SLC5A2ALDH1A1CXCR3LMNASMN1; SMN2
Bromide SCHEMBL11709807 0.74 LMNA (0.69) SLC5A2ALDH1A1CXCR3LMNASMN1; SMN2
SCHEMBL2496996 0.73 MAPT (0.60) SLC5A2ALDH1A1CXCR3LMNASMN1; SMN2
SCHEMBL11712432 0.73 NOD1 (0.72) KMT2ATSHRHTTTP53
SCHEMBL11710220 0.72 TP53 (0.51) SLC5A2ALDH1A1LMNASMN1; SMN2KMT2A

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
US-4004016-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed