SCHEMBL9416809

SCHEMBL9416809

CCNC(=O)Oc1ccc(Br)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL3279771 0.83 TSHR (0.48) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL20660752 0.82 ALDH1A1 (0.47) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL29210715 0.81 PTGDR2 (0.56) TSHRMGLLALDH1A1POLBLMNA
SCHEMBL28738825 0.80 AAK1 (0.47) TSHRMGLLALDH1A1POLBLMNA
SCHEMBL28931511 0.79 TSHR (0.47) TSHRMGLLALDH1A1POLBLMNA
SCHEMBL5929563 0.79 ACHE (0.50) ALDH1A1POLBLMNASMN1; SMN2KDM4E
SCHEMBL25275004 0.77 L3MBTL1 (0.58) TSHRPOLBLMNASMN1; SMN2KDM4E
SCHEMBL2569698 0.77 ALDH1A1 (0.48) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL1737797 0.76 CFD (0.53) TSHRALDH1A1POLBLMNASMN1; SMN2
SCHEMBL26136337 0.75 MGLL (0.67) MGLLPOLBSMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed