SCHEMBL11323906

SCHEMBL11323906

N#CC(Cl)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
IDO1 P14902 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 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
SCHEMBL11334176 0.84 ALDH1A1 (0.59) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL7533794 0.81 ALDH1A1 (0.66) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL22995206 0.81 ALDH1A1 (0.56) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL11320932 0.81 ALDH1A1 (0.56) ALDH1A1IDO1POLBGAANPSR1
Hydrochloric Acid SCHEMBL11056062 0.79 ALDH1A1 (0.63) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL1048060 0.78 POLB (0.61) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL5800499 0.77 ALDH1A1 (0.51) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL22995217 0.77 ALDH1A1 (0.47) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL3397586 0.75 ALDH1A1 (0.62) ALDH1A1IDO1POLBGAANPSR1
SCHEMBL9214713 0.75 ALDH1A1 (0.68) ALDH1A1IDO1POLBGAANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-4113718-A Basic azo dyes CIBA-GEIGY CORPORATION (US) 1978-09-12 US disclosed
US-4064136-A FROM A NITRILE, AN ALCOHOL AND ORTHO-SUBSTITUTED AROMATIC AMINE CIBA-GEIGY AG (CH) 1977-12-20 US disclosed