SCHEMBL9124282

SCHEMBL9124282

C1=CC2(Cc3ccccc31)Cc1ccccc1N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.35
NPC1 O15118 2/20 0.32
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
HK1 P19367 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL29756105 0.75 MAPT (0.42) MAPTGAAPARP1NPC1AHR
SCHEMBL6914407 0.73 MAPT (0.43) MAPTGAANPC1KDM4EMEN1
SCHEMBL7825051 0.71 LMNA (0.33) PARP1
SCHEMBL7816583 0.71 HTR2C (0.33) PARP1
SCHEMBL258234 0.71 PARP1 (0.36) MAPTGAAPARP1CA1CA2
SCHEMBL31520302 0.71 PARP1 (0.36) MAPTGAAPARP1CA1CA2
SCHEMBL2288761 0.70 PARP1 (0.39) MAPTGAAPARP1CA1CA2
SCHEMBL3039164 0.69 HTR2C (0.44) MAPTGAAMEN1MAPK1KMT2A
SCHEMBL13326508 0.69 HTR2C (0.44) MAPTGAAMEN1MAPK1KMT2A
SCHEMBL29715758 0.69 HTR2C (0.44) MAPTGAAMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387798-A Photochromic compound NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1995-02-07 US disclosed