SCHEMBL28565847

SCHEMBL28565847

Nc1nnc(-c2cccc(F)c2O)cc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 5/20 0.38
SMARCA4 P51532 5/20 0.38
PBRM1 Q86U86 5/20 0.38
NR1I2 O75469 3/20 0.38
BRD4 O60885 1/20 0.38
CCNT1 O60563 6/20 0.37
CDK9 P50750 6/20 0.37
GRM1 Q13255 5/20 0.36
GRM5 P41594 4/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19991661 0.86 PBRM1 (0.53) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL31179788 0.86 GRM1 (0.54) SMARCA2SMARCA4PBRM1GRM1GRM5
SCHEMBL23037443 0.86 GRM1 (0.54) SMARCA2SMARCA4PBRM1GRM1GRM5
SCHEMBL31179792 0.86 GRM1 (0.54) SMARCA2SMARCA4PBRM1GRM1GRM5
SCHEMBL5371432 0.78 CCNT1 (0.47) CCNT1CDK9GRM1GRM5ALDH1A1
SCHEMBL29029578 0.77 ALDH1A1 (0.41) ALDH1A1HPGDNPC1MAPTALOX15
SCHEMBL18081225 0.76 SMARCA2 (0.54) SMARCA2SMARCA4PBRM1NR1I2BRD4
SCHEMBL5376595 0.75 ALDH1A1 (0.48) SCDSCD5ALDH1A1HPGDNPC1
SCHEMBL28565843 0.75 CNR1 (0.37) SCDSCD5ALDH1A1NPC1MAPT
SCHEMBL28428615 0.74 MAPT (0.42) CCNT1CDK9SCDSCD5ALDH1A1

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-112771038-A Pyridazine derivatives as SMARCA2/4 degradants 奥里吉恩发现科技有限公司 2021-05-07 CN disclosed