SCHEMBL9742201

SCHEMBL9742201

O=C(O)NC(=O)c1[nH]ccc(=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CCR8 P51685 1/20 0.31
KDM4E B2RXH2 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL9744780 0.80 BLM (0.38) KMT2AALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL19350092 0.80 SMN1; SMN2 (0.35) KMT2AALDH1A1SMN1; SMN2ADORA2AADORA1
SCHEMBL9742694 0.79 KMT2A (0.41) KMT2AALDH1A1CCR8
SCHEMBL1207583 0.73 CCR8 (0.35) KMT2AALDH1A1CCR8KDM4E
SCHEMBL14113784 0.71 KMT2A (0.36) KMT2AALDH1A1EGLN1
SCHEMBL19349237 0.71
SCHEMBL14113838 0.70 ATM (0.31)
SCHEMBL14113785 0.67 HPGD (0.38) KMT2AALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL31023340 0.67 CCR8 (0.44) KMT2AALDH1A1RAB9AADORA2AADORA1
SCHEMBL14113840 0.67 HSD17B10 (0.35) KMT2AALDH1A1POLBRAB9A

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-5112968-A Monobactam hydrazide derivatives E. R. SQUIBB & SONS, INC. (US) 1992-05-12 US disclosed