SCHEMBL9542297

SCHEMBL9542297

C=CCN(C=O)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
AKT1 P31749 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
LSS P48449 2/20 0.38
CYP1A2 P05177 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL9543520 0.81 TSHR (0.51) TSHRAKT1KDM4ESMN1; SMN2MEN1
SCHEMBL176484 0.79 TSHR (0.53) TSHRAKT1KDM4ESMN1; SMN2MEN1
SCHEMBL11184042 0.79 TSHR (0.53) TSHRAKT1KDM4ESMN1; SMN2MEN1
SCHEMBL10296224 0.78 GSK3B (0.45) TSHRKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12650288 0.78 ALDH1A1 (0.53) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL14493279 0.78 ALDH1A1 (0.42) TSHRKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8588107 0.78 TSHR (0.51) TSHRAKT1KDM4ESMN1; SMN2MEN1
SCHEMBL8673185 0.78 HSD11B1 (0.51) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL9474105 0.77 TSHR (0.48) TSHRAKT1SMN1; SMN2MEN1KMT2A
SCHEMBL8719506 0.76 TSHR (0.50) TSHRAKT1KDM4ESMN1; SMN2MEN1

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-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed