SCHEMBL9825980

SCHEMBL9825980

Cn1ncnc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.46
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 8/20 0.45
GLA P06280 4/20 0.45
GAA P10253 4/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSD17B10 Q99714 4/20 0.42
POLB P06746 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9788354 0.72 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29456286 0.70 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1907032 0.70 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27490294 0.69 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1906111 0.69 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21233347 0.69 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9118620 0.69 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL822672 0.68 NR1H2 (0.47) KDM4EALDH1A1NPC1RAB9AHDAC1
SCHEMBL10475743 0.68 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12596380 0.68 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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
EP-0165753-B1 HERBICIDAL THIOPHENESULFONAMIDES AND PYRIDINESULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-12-11 EP disclosed
US-4723988-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4684393-A PLATN GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1987-08-04 US disclosed
EP-0165753-A2 Herbicidal thiophenesulfonamides and pyridinesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-27 EP disclosed