SCHEMBL17849569

SCHEMBL17849569

Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
UQCRB P14927 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
PKM P14618 4/20 0.58
HSD17B2 P37059 1/20 0.56
PTPN5 P54829 1/20 0.55
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
RORA P35398 1/20 0.53

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
SCHEMBL17849562 0.85 HSD17B2 (0.58) MAPTALDH1A1MEN1KMT2AUQCRB
SCHEMBL17174222 0.85 CES1 (0.66) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL16187970 0.84 HSD17B2 (0.68) MAPTALDH1A1MEN1KMT2AUQCRB
SCHEMBL208685 0.83 UQCRB (0.67) MAPTALDH1A1MEN1KMT2AUQCRB
SCHEMBL17849563 0.83 FFAR1 (0.59) MAPTALDH1A1MEN1KMT2AUQCRB
SCHEMBL23093601 0.82 PKM (0.61) MAPTALDH1A1MEN1KMT2ACA1
SCHEMBL8976245 0.82 PKM (0.67) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL16187961 0.81 UQCRB (0.64) MAPTALDH1A1MEN1KMT2AUQCRB
SCHEMBL812679 0.81 ALDH1A1 (0.83) MAPTALDH1A1MEN1KMT2AUQCRB
SCHEMBL1040954 0.79 ALDH1A1 (0.73) MAPTALDH1A1MEN1KMT2AUQCRB

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
US-9371286-B2 Pharmaceutical composition with enhanced efficacy for inhibiting angiogenesis INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-06-21 US disclosed