SCHEMBL7732052

SCHEMBL7732052

N[C@H](CCc1ccccc1)c1nc(C(=O)Nc2ccc3ccccc3c2)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.43
NPC1 O15118 10/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
USP2 O75604 2/20 0.43
TP53 P04637 2/20 0.43
METAP2 P50579 1/20 0.42
KDR P35968 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7734004 0.92 RAB9A (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7732103 0.86 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7730721 0.82 LTA4H (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7735917 0.81 RAB9A (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7732373 0.80 TRPV1 (0.50) RAB9ANPC1SMN1; SMN2MAPTKDR
SCHEMBL7861048 0.80 C3AR1 (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7732335 0.79 CES1 (0.49) KMT2AMETAP2HDAC1HDAC8HDAC6
SCHEMBL7733996 0.77 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTKDR
SCHEMBL7735836 0.76 SLC1A3 (0.40) KMT2AMAPTMETAP2TDP1KDM4E
SCHEMBL7732119 0.75 SLC2A1 (0.44) MAPTTP53POLBALOX15

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed