SCHEMBL10404359

SCHEMBL10404359

O=C(O)c1c(=O)c2cc(F)c(N3CCNCC3)cc2n2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
HTT P42858 3/20 0.53
TOP2A P11388 3/20 0.53
TOP2B Q02880 3/20 0.53
TSHR P16473 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
BRD4 O60885 1/20 0.53
CYP2J2 P51589 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDR P35968 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL10385834 0.87 ALDH1A1 (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10404697 0.85 ALDH1A1 (0.49) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10742710 0.80 ALDH1A1 (0.52) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10744964 0.77 ALDH1A1 (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10746077 0.77 ALDH1A1 (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9522499 0.76 LMNA (0.50) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL9523101 0.75 LMNA (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL13896537 0.75 LMNA (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL10976616 0.74 ALDH1A1 (0.53) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL30866391 0.74 KDM4E (0.63) KDM4ELMNAALDH1A1HPGDHSD17B10

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-4923868-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1990-05-08 US claimed