SCHEMBL7904549

SCHEMBL7904549

OC(CCC1CCCCC1)c1ccnnc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.34
IDO1 P14902 6/20 0.33
TDO2 P48775 6/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1521003 0.76 KDM4E (0.49) MEN1KMT2A
SCHEMBL17064513 0.74 GRIN2B (0.35) IDO1MEN1KMT2A
SCHEMBL13232174 0.73 EPHX1 (0.47) NPC1TP53RAB9AKMT2ASMN1; SMN2
SCHEMBL10021099 0.73 KMT2A (0.43) METAP1MEN1NPC1TP53TSHR
SCHEMBL317581 0.73 GRIN2B (0.39) METAP1
SCHEMBL7903826 0.70 METAP1 (0.34) METAP1IDO1TDO2MEN1NPC1
SCHEMBL7897653 0.69 CHRM1 (0.48) MEN1NPC1TSHRRAB9AKMT2A
SCHEMBL28257255 0.68 LOXL2 (0.45) NPC1TSHRRAB9A
SCHEMBL10527597 0.68 MAPT (0.40) MEN1NPC1TP53TSHRRAB9A
SCHEMBL10528119 0.67 CYP19A1 (0.43) MEN1NPC1TP53TSHRRAB9A

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-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed