SCHEMBL9812469

SCHEMBL9812469

COC1c2ccccc2C2C(=O)N(Cc3ccccc3)C(=O)C12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 6/20 0.49
ALDH1A1 P00352 10/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.46
HPGD P15428 3/20 0.43
USP2 O75604 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41

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
SCHEMBL16775234 0.75 KMT2A (0.70) KMT2AMAPK1LMNAALDH1A1TSHR
SCHEMBL16759895 0.75 KMT2A (0.70) KMT2AMAPK1LMNAALDH1A1TSHR
SCHEMBL7825065 0.74 MEN1 (0.70) KMT2AMAPK1LMNAALDH1A1TSHR
SCHEMBL24481551 0.70 KMT2A (0.63) KMT2AMAPK1LMNAALDH1A1TSHR
SCHEMBL18517357 0.70 MEN1 (0.54) KMT2ALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL19971697 0.70 MEN1 (0.54) KMT2ALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL19971698 0.70 MEN1 (0.54) KMT2ALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL9975770 0.68 KMT2A (0.66) KMT2ALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL10031595 0.68 KMT2A (0.66) KMT2ALMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8362397 0.66 ALDH1A1 (0.58) KMT2AMAPK1LMNAALDH1A1TSHR

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
US-5049564-A Hypotensive, 5-hydroxytryptamine ABBOTT LABORATORIES (US) 1991-09-17 US disclosed