SCHEMBL3368992

SCHEMBL3368992

Cc1nc(-c2cc(Cl)ccc2O)sc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
XDH P47989 1/20 0.53
GAA P10253 3/20 0.51
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSP90AA1 P07900 1/20 0.46
MAPT P10636 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 1/20 0.45
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL3413746 0.84 KDM4E (0.65) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3436648 0.84 KDM4E (0.65) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3371972 0.83 SMN1; SMN2 (0.52) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3371793 0.82 SMN1; SMN2 (0.51) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3367949 0.81 SMN1; SMN2 (0.65) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3436284 0.80 KDM4E (0.59) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3371761 0.80 SMN1; SMN2 (0.63) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL3371496 0.80 SMN1; SMN2 (0.67) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL27943220 0.78 RAB9A (0.64) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL2069278 0.78 RAB9A (1.00) KDM4ERAB9ASMN1; SMN2NPC1POLB

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
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed