SCHEMBL30134722

SCHEMBL30134722

O=Cc1ncccc1Oc1ccccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
MAPK14 Q16539 1/20 0.53
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
PPIA P62937 3/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 3/20 0.42
ADRA1D P25100 3/20 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
SCHEMBL24631752 1.00 LTA4H (0.53) LTA4HMAPK14CCNB2CDK1CDK4
SCHEMBL1178876 0.91 LTA4H (0.58) LTA4HMAPK14CCNB2CDK1CDK4
SCHEMBL30134833 0.80 CCNB2 (0.51) LTA4HMAPK14CCNB2CDK1CDK4
SCHEMBL24631619 0.80 CCNB2 (0.51) LTA4HMAPK14CCNB2CDK1CDK4
SCHEMBL5538708 0.79 MAPT (0.63) LTA4HMAPK14CCNB2CDK1CDK4
SCHEMBL16632655 0.78 CCNB2 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL27255595 0.78 HTT (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL30078086 0.78 RXRA (0.57) PPIAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15065675 0.78 RXRA (0.57) PPIAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2085693 0.78 LMNA (0.55) LTA4HMAPTRAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4319738-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2024-02-14 EP disclosed
CN-117279632-A TAAR1 and serotonin modulators, pharmaceutical compositions thereof, and methods of use 赛诺维信制药公司 2023-12-22 CN disclosed
WO-2022217265-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed