SCHEMBL8401233

SCHEMBL8401233

O=C(Nc1cncn(C(=O)Cc2ccncc2)c1=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ELANE P08246 4/20 0.41
MAOB P27338 1/20 0.41
TRPV1 Q8NER1 4/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CASP3 P42574 1/20 0.40
KDM6B O15054 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
NAMPT P43490 2/20 0.39
GAA P10253 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL7297137 0.96 NPC1 (0.48) POLBNPC1RAB9AELANEMAOB
SCHEMBL7294413 0.91 NAMPT (0.47) POLBNPC1RAB9AELANEMAOB
SCHEMBL8405741 0.90 TRPV1 (0.48) POLBNPC1RAB9AELANEMAOB
SCHEMBL8403664 0.90 SCD (0.48) POLBNPC1RAB9AELANEMAOB
SCHEMBL7292947 0.90 ELANE (0.45) POLBNPC1RAB9AELANEMAOB
SCHEMBL8401151 0.88 ELANE (0.46) POLBNPC1RAB9AELANECASP3
SCHEMBL8401497 0.87 NPC1 (0.47) POLBNPC1RAB9AELANEMAOB
SCHEMBL8405850 0.86 ELANE (0.47) POLBNPC1RAB9AELANE
SCHEMBL7293123 0.86 HDAC3 (0.44) POLBNPC1RAB9AELANEMAOB
SCHEMBL8405275 0.85 NPC1 (0.53) POLBNPC1RAB9AELANEMAOB

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-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed