SCHEMBL20887178

SCHEMBL20887178

O=C(Nc1ccc(F)c2ccccc12)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 2/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 4/20 0.49
MAPT P10636 2/20 0.49
ALOX12 P18054 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49

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
SCHEMBL20886935 0.86 KDM4E (0.67) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL20886946 0.86 TAS1R3 (0.47) SHMT2KMT2ATSHRKDM4EALDH1A1
SCHEMBL20886932 0.86 POLB (0.55) SHMT2KMT2ATSHRKDM4EALDH1A1
SCHEMBL20887172 0.82 SHMT2 (0.58) SHMT2KMT2AMEN1TSHRKDM4E
SCHEMBL20887183 0.82 SHMT2 (0.58) SHMT2KMT2AMEN1TSHRKDM4E
SCHEMBL20887185 0.82 MAPT (0.58) SHMT2KMT2AMEN1TSHRKDM4E
SCHEMBL13366272 0.80 RAB9A (0.64) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL830750 0.79 KDM4E (0.74) SHMT2KMT2AMEN1TSHRKDM4E
SCHEMBL6852418 0.77 KDM4E (0.76) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL30008966 0.76 THRB (0.69) KMT2AKDM4EALDH1A1SMN1; SMN2PKM

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
WO-2019071104-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF HYPERAMMONEMIA CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-04-11 WO disclosed