SCHEMBL6661351

SCHEMBL6661351

O=C(O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.49
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
IKBKB O14920 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
BTK Q06187 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27898247 0.85 CYP1A2 (0.51) RAB9AMEN1KMT2APOLBHDAC1
SCHEMBL10963431 0.84 HDAC1 (0.50) RAB9AMEN1KMT2APOLBHDAC1
SCHEMBL2723012 0.83 MKNK1 (0.60) HDAC1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3962151 0.79 DAO (0.31)
SCHEMBL2722295 0.78 XDH (0.44) KDM4EALDH1A1HPGDCYP2C9HSD17B1
SCHEMBL7812232 0.78 KDM4E (0.59) RAB9AKMT2APOLBHDAC1KDM4E
SCHEMBL2411079 0.78 CNR1 (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL2407370 0.75 TSHR (0.39) KMT2AKDM4EHPGDMAPK1HSD17B1
SCHEMBL29156695 0.74 RAB9A (0.47) RAB9AMEN1KMT2APOLBHDAC1
SCHEMBL5763046 0.74 DAO (0.48)

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
EP-0952154-B1 N-acyl and N-aroyl aralkyl amides PFIZER PROD INC (US) 2004-08-18 EP claimed