SCHEMBL21242398

SCHEMBL21242398

CC(=O)NC1(N)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL15062781 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRCYP2C19MEN1
SCHEMBL477423 0.78 HDAC4 (0.38) HTTALDH1A1SMN1; SMN2TSHRCYP2C19
SCHEMBL2480644 0.77 NPSR1 (0.36) ALDH1A1SMN1; SMN2TSHRCYP2C19MEN1
Hydrochloric Acid SCHEMBL4731891 0.76 HDAC4 (0.37) HTTALDH1A1SMN1; SMN2TSHRCYP2C19
SCHEMBL20069554 0.76 CYP1A2 (0.37) ALDH1A1POLBCYP1A2
SCHEMBL29109148 0.75 HTT (0.42) HTTALDH1A1SMN1; SMN2CYP2C19MEN1
SCHEMBL5219364 0.73 HTT (0.41) HTTALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL11955648 0.73 HTT (0.41) HTTALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL14627310 0.73 HTT (0.41) HTTALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL4214365 0.73 HTT (0.41) HTTALDH1A1SMN1; SMN2MEN1POLB

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
EP-3521289-A1 MNK INHIBITORS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2019-08-07 EP disclosed