SCHEMBL27495602

SCHEMBL27495602

O=C(Nc1ccccc1)C1=CCC(O)(Cl)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10339864 0.85 RAB9A (0.41) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1413121 0.81 PTPN1 (0.44) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL9262918 0.78 ALOX5 (0.42) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8985178 0.75 HDAC2 (0.38) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL9423170 0.74 TSHR (0.38) SMN1; SMN2MEN1KMT2ARAB9AHPGD
SCHEMBL9267213 0.74 ALOX5 (0.41) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL9271646 0.74 ALOX5 (0.44) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL10426993 0.72 PRMT1 (0.40) POLBMEN1KMT2ARAB9AALDH1A1
SCHEMBL27594852 0.71 MAPT (0.45) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL18932697 0.71 PTPN1 (0.46) POLBSMN1; SMN2MEN1KMT2ARAB9A

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-1172582-A Composition of mouse expelling agent containing amide SHENYANG CHEMICAL INST MINISTR (CN) 1998-02-11 CN disclosed