SCHEMBL7962103

SCHEMBL7962103

COC(=O)c1c(Cl)c(-c2cccnc2Cl)n2c1C(O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.34
IDO1 P14902 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 5/20 0.34
CYP2C19 P33261 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMO Q99835 1/20 0.33
PDE4B Q07343 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TDP2 O95551 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7961108 0.91 DHODH (0.35) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL7964731 0.90 FPR1 (0.35) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL7962570 0.90 CDK5 (0.34) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL7961198 0.89 MEN1 (0.34) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL7965010 0.89 HCRTR1 (0.33) ALDH1A1CYP2C19PDE4B
SCHEMBL7963301 0.88 HCRTR1 (0.34) MEN1KMT2AALDH1A1IDO1CYP2C19
SCHEMBL7963885 0.88 KCNMA1 (0.36) MEN1KMT2AALDH1A1IDO1LMNA
SCHEMBL8330160 0.87 DHODH (0.38) KMT2AALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL7952522 0.86 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL7961656 0.83 FAAH (0.34) ALDH1A1MAPTCYP2C19CDK5DYRK1A

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed