SCHEMBL11471661

SCHEMBL11471661

CC1=N/C(=C\c2c[nH]c3ccccc23)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2A6 P11509 1/20 0.47
IMPDH2 P12268 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
NTRK1 P04629 2/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL11471408 1.00 KDM4E (0.48) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL11463581 0.85 POLB (0.44) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL11463580 0.85 POLB (0.44) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL11463806 0.85 POLB (0.44) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL10354323 0.81 KMT2A (0.52) KDM4EMAPTHPGDALDH1A1LMNA
SCHEMBL31059223 0.80 POLB (0.44) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL28738521 0.80 POLB (0.44) KDM4EMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1714080 0.80 KMT2A (0.54) KDM4EMAPTSMN1; SMN2KMT2APOLB
SCHEMBL1714077 0.80 KMT2A (0.54) KDM4EMAPTSMN1; SMN2KMT2APOLB
SCHEMBL22645450 0.80 MAPT (0.45) KDM4EMAPTHPGDALDH1A1LMNA

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-4198501-A CATALYTIC REDUCTION HOFFMANN-LA ROCHE INC. (US) 1980-04-15 US disclosed
US-4137404-A Synthesis of tryptophans HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US disclosed