SCHEMBL28601931

SCHEMBL28601931

O=C(NCCc1ccccc1Cl)c1noc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC8 Q9BY41 2/20 0.59
HIF1A Q16665 2/20 0.57
RIPK1 Q13546 1/20 0.51
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RX7 Q99572 3/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
SMPD1 P17405 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
AKT3 Q9Y243 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44

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
SCHEMBL28596582 0.81 HIF1A (0.62) HDAC1HDAC6HDAC8HIF1ASMN1; SMN2
SCHEMBL892664 0.79 SNCA (0.59)
SCHEMBL28606422 0.78 HIF1A (0.61) HIF1ARIPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL28608110 0.78 HIF1A (0.61) HDAC1HDAC6HDAC8HIF1ARIPK1
SCHEMBL1114337 0.78 KMT2A (0.49) HDAC1HDAC6HDAC8SMN1; SMN2ALDH1A1
SCHEMBL28597825 0.77 HIF1A (0.67) HIF1ARIPK1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL2559848 0.76 HDAC6 (0.77) HDAC1HDAC6HDAC8TSHRALDH1A1
SCHEMBL5598218 0.74 HIF1A (0.85) HIF1ARIPK1SMN1; SMN2P2RX7LMNA
SCHEMBL8160653 0.73 HIF1A (1.00) HIF1ASMN1; SMN2P2RX7LMNATRPV1
SCHEMBL2104880 0.73 HDAC6 (0.77) HDAC1HDAC6HDAC8TSHRALDH1A1

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
CN-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed