SCHEMBL11824328

SCHEMBL11824328

NC(=O)Nc1ccccc1Oc1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 1/20 0.43
MCL1 Q07820 1/20 0.43
AHR P35869 1/20 0.42
ADRA2C P18825 1/20 0.40

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
SCHEMBL11830034 0.88 TSHR (0.44) TSHRKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11128036 0.84 KDM4E (0.47) TSHRKDM4EALDH1A1SMN1; SMN2HDAC3
SCHEMBL29064573 0.75 HTT (0.49) TSHRKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL5317072 0.73 KMT2A (0.50) TSHRKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL29757946 0.72 ADRA2C (0.71) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3826083 0.72 ADRA2C (0.71) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10577713 0.71 CYP1A2 (0.48) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2464288 0.70 KMT2A (0.50) TSHRKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL2566401 0.70 KMT2A (0.47) KDM4EKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL5322772 0.70 KDM4E (0.54) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1

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-3940392-A Certain pyrazinyloxyphenyl urea compound THE DOW CHEMICAL COMPANY (US) 1976-02-24 US disclosed