SCHEMBL7734004

SCHEMBL7734004

N[C@H](CCc1ccc(F)cc1)c1nc(C(=O)Nc2ccc3ccccc3c2)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.42
NPC1 O15118 11/20 0.42
KDM4E B2RXH2 2/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.40
TP53 P04637 2/20 0.40
BACE1 P56817 3/20 0.40
KDR P35968 1/20 0.39
SENP8 Q96LD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL7732052 0.92 RAB9A (0.43) RAB9ANPC1KDM4ECASP3SENP7
SCHEMBL7732373 0.88 TRPV1 (0.50) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL7732103 0.81 RAB9A (0.53) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL7731720 0.80 TRPV1 (0.41) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL7733560 0.80 TRPV1 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7735917 0.78 RAB9A (0.48) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL7732431 0.78 TRPV1 (0.41) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7733996 0.76 NPC1 (0.50) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL7730721 0.75 LTA4H (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7850751 0.74 TRPV1 (0.44) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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