SCHEMBL442132

SCHEMBL442132

Nc1c(C(=O)O)cnc2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 5/20 0.49
GLA P06280 2/20 0.49
HAVCR2 Q8TDQ0 1/20 0.46
EPRS1 P07814 1/20 0.45
RXFP1 Q9HBX9 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PPARG P37231 3/20 0.43
NCOR2 Q9Y618 3/20 0.43
DHODH Q02127 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL20495103 0.84 HTT (0.53) TSHRHTTKDM4EGLARXFP1
SCHEMBL16621492 0.83 HAVCR2 (0.47) TSHRKDM4EHAVCR2KMT2AALDH1A1
SCHEMBL741418 0.83 HTT (0.55) TSHRHTTKDM4EGLAEPRS1
SCHEMBL10281891 0.82 HTT (0.49) TSHRHTTKDM4ERXFP1ALDH1A1
SCHEMBL10282067 0.81 TSHR (0.45) TSHRHTTKDM4ERXFP1KMT2A
SCHEMBL440033 0.81 KEAP1 (0.49) HAVCR2RXFP1MEN1KMT2AALDH1A1
SCHEMBL436603 0.81 KDM4E (0.48) TSHRKDM4EHAVCR2MEN1KMT2A
SCHEMBL440411 0.81 HAVCR2 (0.52) TSHRHAVCR2MEN1KMT2AALDH1A1
SCHEMBL7490398 0.81 HTT (0.50) TSHRHTTKDM4EGLARXFP1
SCHEMBL439271 0.79 MAPK1 (0.65) TSHRHTTKDM4ERXFP1MEN1

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
EP-3140303-B1 IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-03-28 EP disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed