SCHEMBL10751618

SCHEMBL10751618

O=C(O)c1cnccc1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.56
KDM6B O15054 9/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4D Q6B0I6 5/20 0.54
EGLN3 Q9H6Z9 1/20 0.54
KDM4E B2RXH2 2/20 0.51
KDM4A O75164 2/20 0.51
ADRB2 P07550 1/20 0.46
USP2 O75604 1/20 0.46
KDM5B Q9UGL1 2/20 0.45
ALKBH2 Q6NS38 1/20 0.45
ALKBH3 Q96Q83 1/20 0.45
FTO Q9C0B1 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL8697575 0.88 ALDH1A1 (0.56) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL6387642 0.87 KDM4C (0.60) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL258224 0.85 KDM6B (0.59) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL6390426 0.83 KDM4C (0.43) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL6385274 0.83 KDM4C (0.50) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL29373730 0.81 KDR (0.57) KDM4CKDM6BALDH1A1KDM4EADRB2
SCHEMBL9858541 0.81 KDM4C (0.47) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL6257548 0.80 KDM6B (0.46) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL258369 0.79 KDM4C (0.51) KDM4CKDM6BALDH1A1KDM4DEGLN3
SCHEMBL11284708 0.79 FOLH1 (0.58) KDM4CKDM6BALDH1A1KDM4DEGLN3

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-4639457-A CARDIOTONIC AGENTS MERCK & CO., INC. (US) 1987-01-27 US disclosed