SCHEMBL9152453

SCHEMBL9152453

CCc1c(N)ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N)c(CC)c2CC)c1CC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATM Q13315 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
SCHEMBL2949019 0.79 PTGS2 (0.38) MAPTGAAMTNR1AMTNR1BNPC1
SCHEMBL11068431 0.78 MAPT (0.53) MAPTGAAPOLBALDH1A1
SCHEMBL8743511 0.71 GABRP (0.49) MAPTGAAPOLBALDH1A1PKM
SCHEMBL11128772 0.69 ALDH1A1 (0.47) GAAPOLBALDH1A1SMN1; SMN2ATM
Hydroxyamine SCHEMBL28193821 0.69 NOS3 (0.38) MAPTGAAPOLBNPC1ALDH1A1
SCHEMBL88322 0.69 ALDH1A1 (0.46) MAPTMTNR1AMTNR1BPOLBALDH1A1
SCHEMBL30117633 0.69 NOS3 (0.41) MAPTPOLBNPC1ALDH1A1SMN1; SMN2
SCHEMBL215981 0.69 NOS3 (0.41) MAPTPOLBNPC1ALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL11368206 0.68 TSHR (0.47) MAPTGAANPC1ALDH1A1PKM
SCHEMBL27656498 0.67 PARP1 (0.39) MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369765-B1 Electrophotographic photosensitive material MITA INDUSTRIAL CO LTD (JP) 1995-01-25 EP disclosed
US-5185228-A Binder resin, charge transfer material; stability MITA INDUSTRIAL CO., LTD. (JP) 1993-02-09 US disclosed
US-5063126-A Charge generating layer containing an n- and p-type dye and a charge transporting layer on a conductive substrate; weight ra tio; red copying MITA INDUSTRIAL CO., LTD. (JP) 1991-11-05 US disclosed
EP-0369765-A2 Electrophotographic photosensitive material MITA INDUSTRIAL CO. LTD. (JP) 1990-05-23 EP disclosed