SCHEMBL10819627

SCHEMBL10819627

CC(C)C(=O)c1ccc(CNC(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.42
▸ F2 P00734 4/20 0.42
▸ MASP2 O00187 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KLKB1 P03952 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 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
SCHEMBL10820422 0.81 EPHX2 (0.55) ST14KMT2ARAB9AEPHX2NR1H4
SCHEMBL4104833 0.80 KMT2A (0.62) ST14KMT2AEPHX2NR1H4MEN1
SCHEMBL1064916 0.79 LOXL2 (0.59) KMT2ASMN1; SMN2MEN1CYP2C9ALDH1A1
SCHEMBL3672272 0.78 CYP2C9 (0.48) ST14KMT2AMEN1TPSAB1CYP2C9
SCHEMBL18769014 0.78 RAB9A (0.55) KMT2ARAB9ASMN1; SMN2EPHX2NR1H4
Hydrochloric Acid SCHEMBL3883713 0.78 KMT2A (0.61) ST14KMT2AEPHX2NR1H4MEN1
SCHEMBL12674312 0.78 KMT2A (0.47) KMT2ARAB9ASMN1; SMN2EPHX2NR1H4
SCHEMBL25443718 0.77 HPGD (0.67) KMT2ARAB9ASMN1; SMN2MEN1TPSAB1
Water SCHEMBL211633 0.77 LOXL2 (0.57) KMT2ASMN1; SMN2MEN1CYP2C9ALDH1A1
SCHEMBL8399380 0.76 MEN1 (0.51) KMT2ARAB9ASMN1; SMN2MEN1HDAC1

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-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 — — US disclosed
US-7737287-B2 Anomeric derivatives of monosaccharides ALCHEMIA LIMITED (AU) 2010-06-15 — — US disclosed
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