SCHEMBL14899092

SCHEMBL14899092

CC(=O)Nc1ccc(I)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
MAPT P10636 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 5/20 0.50
KDM4E B2RXH2 2/20 0.45
HDAC1 Q13547 2/20 0.45
LMNA P02545 2/20 0.45
APOBEC3A P31941 1/20 0.45
GFER P55789 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PHPT1 Q9NRX4 1/20 0.45
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL10852754 0.82 CA1 (0.60) POLBMAPTNPC1RAB9ACA1
SCHEMBL6689465 0.81 MAPT (0.49) POLBMAPTNPC1RAB9ACA1
SCHEMBL4192284 0.81 ALDH1A1 (0.55) POLBMAPTNPC1RAB9ACA1
SCHEMBL11720879 0.80 POLB (1.00) POLBMAPTNPC1RAB9ACA1
SCHEMBL2896946 0.80 POLB (0.71) POLBMAPTNPC1RAB9ACA1
SCHEMBL2648754 0.79 CA1 (0.57) POLBMAPTNPC1RAB9ACA1
SCHEMBL29651075 0.79 CA1 (0.58) POLBMAPTNPC1RAB9ACA1
SCHEMBL2650449 0.79 HDAC1 (0.58) POLBMAPTNPC1RAB9ACA1
SCHEMBL4847668 0.79 CA1 (0.58) POLBMAPTNPC1RAB9ACA1
SCHEMBL4958020 0.78 MAPT (0.69) POLBMAPTNPC1RAB9ACA1

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-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed