SCHEMBL7440681

SCHEMBL7440681

[NH]C(=O)c1ccccc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
MAPT P10636 3/20 0.62
TSHR P16473 2/20 0.62
HSD17B10 Q99714 2/20 0.62
HPGD P15428 2/20 0.62
METAP2 P50579 1/20 0.52
BCAT2 O15382 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.45
CTNNB1 P35222 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL27700719 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL9545865 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL4967588 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL39118 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL1158413 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRHSD17B10
Potassium SCHEMBL317509 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRHSD17B10
Hydrochloric Acid SCHEMBL8612216 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL31285706 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL8445150 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL317508 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTSHRHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057346-A USED TO DELAY OR SUPPRESS THE TRANSITION OF A RETROVIRAL INFECTION FROM A LATENT TO A VIRULENT CONDITION, THEREBY AMELIORATING RETROVIRALLY CAUSED DISEASES SUCH AS AIDS, ARE ALSO USEFUL IN CANCER TREATMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-02 US disclosed
EP-0797438-A1 INHIBITION OF RETROVIRAL LTR PROMOTERS BY CALCIUM RESPONSE MODIFIERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-10-01 EP disclosed
WO-1996018394-A1 INHIBITION OF RETROVIRAL LTR PROMOTERS BY CALCIUM RESPONSE MODIFIERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE DEPARTMENT OFHEALTH AND HUMAN SERVICES (US) 1996-06-20 WO disclosed
WO-1995007695-A1 METHOD FOR INHIBITING METALLOPROTEINASE EXPRESSION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-03-23 WO disclosed