SCHEMBL7300327

SCHEMBL7300327

Cc1nn2c(C)cccc2c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.38
NTRK1 P04629 1/20 0.38
PIM1 P11309 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MYC P01106 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
ALOX15 P16050 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
SCHEMBL9288787 0.81 POLB (0.43) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL20345576 0.81 SLC22A12 (0.39) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL21818566 0.79 NOTUM (0.36) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL5875543 0.76 MAPK14 (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL21586242 0.74 ALKBH1 (0.46) POLBCYP1A2MEN1KMT2AL3MBTL1
SCHEMBL19327459 0.74 MAPK14 (0.40) POLBCYP1A2CYP2C9MEN1KMT2A
SCHEMBL14592079 0.73 CSF1R (0.48) POLBMEN1KMT2AKDM4EHPGD
SCHEMBL951965 0.72 MEN1 (0.51) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL16447824 0.72 PTGER1 (0.41) POLBKDM4EMAPT
SCHEMBL20669578 0.71 DYRK1A (0.43) POLBCYP1A2CYP2C9CYP2C19MEN1

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
US-5200415-A Serotonin receptor antagonists; antiemetics, antianxietics ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-04-06 US disclosed
EP-0483836-A1 Pyrazolo [1,5-a] pyridine-3-carboxylic acid derivatives, their preparation process and their use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed