SCHEMBL8440219

SCHEMBL8440219

Cc1cccc(NC2(CN(Cc3ccccc3)C(N)=O)CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7853476 0.82 CA2 (0.43) NPFFR1NPFFR2LIMK1LIMK2POLB
Hydrochloric Acid SCHEMBL7841180 0.73 CYP1A2 (0.41) NPFFR1NPFFR2RAB9ANPC1KMT2A
SCHEMBL9311052 0.71 KMT2A (0.47) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL7849002 0.71 POLB (0.46) POLBRAB9ANPC1KMT2AALDH1A1
SCHEMBL7823070 0.71 RAB9A (0.51) POLBRAB9ANPC1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7839095 0.70 KMT2A (0.46) RAB9AKMT2AALDH1A1MEN1MAPT
SCHEMBL11142454 0.69 ALDH1A1 (0.71) POLBRAB9ANPC1KMT2AALDH1A1
SCHEMBL7838973 0.67 ALDH1A1 (0.39) POLBRAB9ANPC1KMT2AALDH1A1
SCHEMBL24328063 0.67 NPC1 (0.52) POLBRAB9ANPC1KMT2AALDH1A1
SCHEMBL7848997 0.66 NPFFR1 (0.61) NPFFR1NPFFR2RAB9AALDH1A1MAPT

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-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed