SCHEMBL8629800

SCHEMBL8629800

C=C1N(CC(C)C)c2ccccc2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
AKR1B1 P15121 1/20 0.44
TP53 P04637 2/20 0.35
CASP6 P55212 1/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
SLC6A4 P31645 2/20 0.33
PTGS1 P23219 2/20 0.33

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
SCHEMBL7478345 1.00 KMT2A (0.44) KMT2ACYP1A2CYP2D6AKR1B1TP53
SCHEMBL8632970 0.86 CYP1A2 (0.39) KMT2ACYP1A2CYP2D6AKR1B1P2RX1
SCHEMBL8632967 0.86 CYP1A2 (0.39) KMT2ACYP1A2CYP2D6AKR1B1P2RX1
SCHEMBL6091601 0.82 KMT2A (0.46) KMT2ACYP1A2CYP2D6TP53LMNA
SCHEMBL30996203 0.79 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6TP53LMNA
SCHEMBL1372846 0.79 P2RX1 (0.49) KMT2ACYP1A2CYP2D6TP53P2RX1
SCHEMBL5573253 0.79 KMT2A (0.47) KMT2ACYP1A2CYP2D6TP53LMNA
SCHEMBL8909053 0.78 KMT2A (0.40) KMT2ACYP1A2CYP2D6TP53LMNA
SCHEMBL7477677 0.78 KMT2A (0.43) KMT2ACYP1A2CYP2D6TP53LMNA
SCHEMBL2180470 0.78 KMT2A (0.46) KMT2ACYP1A2CYP2D6TP53LMNA

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
EP-0600669-B1 Photo reactive material PILKINGTON PLC (GB) 1998-06-24 EP disclosed
US-5446151-A Photo reactive spiro-benzoxazine compounds PILKINGTON PLC (GB) 1995-08-29 US disclosed
EP-0600669-A1 Photo reactive material PILKINGTON PLC (GB) 1994-06-08 EP disclosed