SCHEMBL8390871

SCHEMBL8390871

Cc1cc(Br)c2c(c1)OC(C)(C)C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAOB P27338 2/20 0.31
▸ EZH2 Q15910 1/20 0.30

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
SCHEMBL9333770 0.81 TSHR (0.36) ALDH1A1MAPTKDM4EMAOB
SCHEMBL8388374 0.80 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EMAOB
SCHEMBL8387402 0.80 NFE2L2 (0.33) —
SCHEMBL12330401 0.78 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EMAOB
SCHEMBL17535782 0.76 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EMAOB
SCHEMBL8389851 0.75 ALDH1A1 (0.34) ALDH1A1MAPTKDM4E
SCHEMBL17535566 0.74 — —
SCHEMBL658523 0.73 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EEZH2
SCHEMBL8388052 0.72 CCR8 (0.38) ALDH1A1MAPTKDM4EMAOB
SCHEMBL17027090 0.70 KDM4E (0.37) ALDH1A1KDM4E

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
US-5874579-A Insecticidal substituted-2.4-diaminoquinazolines related applications FMC CORPORATION (US) 1999-02-23 — — US disclosed
US-5616718-A USEFUL FOR MAKING 2,4-DIAMINOQUINAZOLINES; INSECTICIDES FMC CORPORATION (US) 1997-04-01 — — US disclosed
US-5534518-A Insecticidal substituted-2,4-diaminoquinazolines FMC CORPORATION (US) 1996-07-09 — — US disclosed
Send feedback