SCHEMBL11091972

SCHEMBL11091972

C=Nc1ccccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HRH1 P35367 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ SLC6A2 P23975 4/20 0.40
▸ SLC6A4 P31645 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1A P08908 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ KDM1A O60341 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
SCHEMBL51822 0.75 LTA4H (0.69) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL4409583 0.75 KMT2A (0.46) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL9461422 0.74 TSHR (0.41) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL673041 0.74 KMT2A (0.44) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL2892989 0.74 ALDH1A1 (0.44) TSHRLTA4HALDH1A1HPGDKMT2A
Bromide SCHEMBL8447011 0.73 LTA4H (0.65) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL3893178 0.73 LTA4H (0.65) TSHRLTA4HALDH1A1HPGDKMT2A
Ammonia Solution, Strong SCHEMBL7127955 0.73 LTA4H (0.65) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL9264065 0.73 LTA4H (0.65) TSHRLTA4HALDH1A1HPGDKMT2A
SCHEMBL5852017 0.73 LTA4H (0.65) TSHRLTA4HALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452795-A MITICIDES, INSECTICIDES CIBA-GEIGY CORPORATION (US) 1984-06-05 — — US disclosed
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