SCHEMBL15664279

SCHEMBL15664279

Cc1ccc(-c2cccc(C(=O)O)c2I)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
HNF4A P41235 1/20 0.47
MYC P01106 1/20 0.46
AKR1C3 P42330 1/20 0.46
MCL1 Q07820 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
UHRF1 Q96T88 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
BRS3 P32247 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
SCHEMBL8420159 0.85 HNF4A (0.63) POLBKMT2AHNF4AMYCAKR1C3
SCHEMBL31402608 0.82 KMT2A (0.60) GAANPC1RAB9AKMT2AHNF4A
SCHEMBL372 0.82 KMT2A (0.60) GAANPC1RAB9AKMT2AHNF4A
SCHEMBL11142513 0.81 POLB (0.54) POLBGAANPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL7610390 0.80 KMT2A (0.59) GAANPC1RAB9AKMT2AHNF4A
SCHEMBL17965677 0.79 TSHR (0.52) POLBGAANPC1RAB9AKMT2A
SCHEMBL12285691 0.79 ACHE (0.40) POLBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL867477 0.77 MYC (0.47) POLBGAANPC1RAB9AKMT2A
SCHEMBL1854636 0.77 NPC1 (0.46) POLBGAANPC1RAB9AKMT2A
SCHEMBL28897597 0.76 AKR1C3 (0.64) POLBGAANPC1RAB9AKMT2A

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-2379518-B1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed