SCHEMBL7716072

SCHEMBL7716072

N#CC(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(C(C#N)=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
RAB9A P51151 7/20 0.69
MAPT P10636 7/20 0.69
L3MBTL1 Q9Y468 4/20 0.69
MAPK1 P28482 3/20 0.69
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
NPC1 O15118 6/20 0.56
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HTT P42858 1/20 0.47
MITF O75030 1/20 0.47
NQO2 P16083 2/20 0.46
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7905288 1.00 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL7905291 1.00 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL9915843 1.00 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL2231652 0.93 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL22817504 0.93 MAPT (0.61) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL2231642 0.93 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL28423767 0.93 MAPT (0.61) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL28424268 0.91 ALDH1A1 (0.59) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL28959613 0.91 MAPT (0.59) ALDH1A1RAB9AMAPTL3MBTL1MAPK1
SCHEMBL17369251 0.89 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 WO disclosed