SCHEMBL8219397

SCHEMBL8219397

NC1(c2ccccc2)SC=CC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.39
MAOB P27338 12/20 0.39
KDM1A O60341 10/20 0.39
CA2 P00918 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL2870312 0.63 MAOA (0.39) MAOAMAOBKDM1AHTR2AHTR2C
SCHEMBL6018855 0.61 CA2 (0.33) CA2
SCHEMBL734440 0.60 KDM1A (0.38) MAOAMAOBKDM1AHTR2AHTR2C
SCHEMBL1153469 0.58 KDM1A (0.44) MAOAMAOBKDM1AHTR2AHTR2C
SCHEMBL5149443 0.57 HTR2A (0.39) MAOAMAOBKDM1AHTR2AHTR2C
SCHEMBL9100196 0.57 KDM1A (0.34) MAOAMAOBKDM1AHTR2AHTR2C
SCHEMBL11788215 0.56 KDM1A (1.00) MAOAMAOBKDM1A
SCHEMBL15767592 0.56 KDM1A (1.00) MAOAMAOBKDM1A
SCHEMBL4794111 0.56 KDM1A (0.38) MAOAMAOBKDM1AHTR2AHTR2C
SCHEMBL15777295 0.56 KDM1A (1.00) MAOAMAOBKDM1A

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
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