SCHEMBL3344869

SCHEMBL3344869

Cc1c(C(=O)O)c2ccccc2c(=O)n1Cc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
PLA2G1B P04054 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
POLB P06746 2/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
FABP4 P15090 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK8 P45983 1/20 0.39
ATM Q13315 1/20 0.39
EDNRB P24530 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL3350444 0.85 SMN1; SMN2 (0.58) LMNASMN1; SMN2TSHRPOLBFABP4
SCHEMBL2313628 0.84 HTR2A (0.36) LMNASMN1; SMN2TSHRPOLBHTR2A
SCHEMBL2312288 0.82 L3MBTL1 (0.51) LMNASMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1365646 0.81 PPARG (0.44) SMN1; SMN2TSHRMEN1KMT2AATM
SCHEMBL2834290 0.74 MEN1 (0.49) LMNATSHRGAAMEN1KMT2A
SCHEMBL31502941 0.72 MAPK8 (0.56) LMNASMN1; SMN2TSHRGAAPOLB
SCHEMBL2837392 0.72 MEN1 (0.42) LMNASMN1; SMN2TSHRHSD17B10POLB
SCHEMBL2830643 0.72 TDP1 (0.62) LMNASMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL2832448 0.72 RAB9A (0.49) LMNASMN1; SMN2TSHRHSD17B10POLB
SCHEMBL2832378 0.72 MEN1 (0.49) LMNASMN1; SMN2TSHRGAAHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US claimed
WO-2010045948-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-04-29 WO claimed
US-8415373-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2013-04-09 US disclosed
WO-2010045948-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-04-29 WO disclosed