SCHEMBL22412944

SCHEMBL22412944

O=C(O)Nc1ccc2c(c1)Oc1cc(NC(=O)O)ccc1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
RAB9A P51151 10/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 9/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 3/20 0.41
ADRA2A P08913 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39

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
SCHEMBL17820115 0.82 RAB9A (0.39) POLBRAB9AKMT2AMAPTNPC1
SCHEMBL17819791 0.82 NPC1 (0.37) RAB9AKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL22426061 0.77 CA12 (0.48) RAB9AMAPTNPC1CYP1A2CYP2C19
SCHEMBL29177320 0.73 NPC1 (0.49) POLBRAB9AKMT2AMAPTNPC1
SCHEMBL11597646 0.73 MAOA (0.41) RAB9AKMT2AMAPTCYP1A2ADRA2A
SCHEMBL4647917 0.73 NPC1 (0.77) POLBRAB9AKMT2AMAPTNPC1
SCHEMBL12610862 0.73 CYP1A2 (0.72) POLBRAB9AKMT2AMAPTNPC1
SCHEMBL27091154 0.73 POLB (0.46) POLBRAB9AKMT2AMAPTNPC1
SCHEMBL30494024 0.70 NPC1 (0.65) POLBRAB9AKMT2AMAPTNPC1
SCHEMBL11896022 0.70 NPC1 (0.70) POLBRAB9AKMT2AMAPTNPC1

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-20210404958-A1 STIMULATED RAMAN COUPLED FLUORESCENCE SPECTROSCOPY AND MICROSCOPY SYSTEM AND METHOD THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-30 US disclosed
WO-2020186026-A1 STIMULATED RAMAN COUPLED FLUORESCENCE SPECTROSCOPY AND MICROSCOPY SYSTEM AND METHOD THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-17 WO disclosed