SCHEMBL11218738

SCHEMBL11218738

Oc1ccc(N=c2cccc[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ S100B P04271 2/20 0.35
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ ESR1 P03372 3/20 0.34
▸ ESR2 Q92731 3/20 0.34
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GLB1 P16278 1/20 0.33
▸ CTRB1 P17538 1/20 0.33
▸ CTRC Q99895 1/20 0.33

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
SCHEMBL3740723 0.83 ALDH1A1 (0.38) MEN1KMT2ANPC1RAB9ANOS3
SCHEMBL9502431 0.69 — —
SCHEMBL10656570 0.68 CRBN (0.41) MEN1KMT2ANPC1S100BCA12
SCHEMBL6688901 0.64 — —
SCHEMBL9197149 0.64 — —
SCHEMBL16601698 0.64 ALDH1A1 (0.77) MEN1KMT2ANPC1RAB9AHSP90AA1
Hydroquinone SCHEMBL27978426 0.62 CA3 (0.53) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL1198024 0.61 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL156633 0.61 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL20580111 0.61 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1

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
JP-57012692-A — — None — — JP disclosed
JP-S5712692-A COPYING PAPER SUMITOMO CHEM CO LTD 1982-01-22 — — JP disclosed
Send feedback