SCHEMBL8690482

SCHEMBL8690482

NNCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.47
PDE2A O00408 1/20 0.43
DAO P14920 1/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
PTGS1 P23219 1/20 0.39
KIF11 P52732 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10278513 0.81 KDM1A (0.50) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL10254379 0.80 KDM1A (0.49) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL10864316 0.80 KDM1A (0.46) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL30841845 0.79 KDM1A (0.48) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL10288360 0.79 KDM1A (0.48) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL24468397 0.79 KDM1A (0.48) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL27469976 0.79 KDM1A (0.48) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL30471983 0.79 KDM1A (0.48) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL1311336 0.79 KMT2A (0.47) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL2550872 0.79 KMT2A (0.52) KDM1AMAOAMAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5833885-A LENSES, ULTRAVIOLET RADIATION PROTECTION PILKINGTON PLC (GB) 1998-11-10 US disclosed
EP-0713491-A1 SPIRO(INDOLINO) OXAZINE PHOTOCHROMIC COMPOUNDS PILKINGTON PLC (GB) 1996-05-29 EP disclosed
WO-1995005385-A1 SPIRO(INDOLINO) OXAZINE PHOTOCHROMIC COMPOUNDS PILKINGTON PLC (GB) 1995-02-23 WO disclosed