SCHEMBL29705990

SCHEMBL29705990

O=C(CCn1nnc2ccccc21)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.81
ALDH1A1 P00352 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
KMT2A Q03164 2/20 0.81
LMNA P02545 1/20 0.81
MAPT P10636 2/20 0.71
KDM4E B2RXH2 2/20 0.71
EGLN3 Q9H6Z9 1/20 0.69
MAPK1 P28482 1/20 0.65
GAA P10253 1/20 0.63
HSD17B10 Q99714 3/20 0.63
POLB P06746 2/20 0.63
HPGD P15428 1/20 0.63
RECQL P46063 1/20 0.63
NPC1 O15118 4/20 0.61
HTT P42858 1/20 0.56
PIN1 Q13526 1/20 0.54
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL28801301 1.00 RAB9A (0.81) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2490338 0.83 KDM4E (1.00) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL6885340 0.82 EGLN3 (1.00) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL31714030 0.81 EGLN3 (0.97) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL24412639 0.80 KDM4E (0.69) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3457145 0.78 EGLN3 (0.74) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL17755718 0.78 KMT2A (0.58) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL23880029 0.77 EGLN3 (0.68) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2607469 0.76 RAB9A (1.00) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL13182368 0.76 RAB9A (0.77) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135865-B Method for preparing N-phenyl-3- (benzotriazole-1-yl) propionamide 常州大学 2022-07-05 CN claimed
CN-113135865-B Method for preparing N-phenyl-3- (benzotriazole-1-yl) propionamide 常州大学 2022-07-05 CN disclosed
CN-113135865-B Method for preparing N-phenyl-3- (benzotriazole-1-yl) propionamide 常州大学 2022-07-05 CN disclosed