SCHEMBL11769710

SCHEMBL11769710

CCNC(=O)Nc1ccc(Sc2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NLRP3 Q96P20 1/20 0.51
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
IL18 Q14116 1/20 0.50
CNR1 P21554 1/20 0.50
PIK3CA P42336 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49

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
SCHEMBL11052863 0.91 SAE1 (0.63) SAE1UBA2MAPTLMNAMEN1
SCHEMBL11768366 0.89 CNR1 (0.54) SAE1UBA2MAPTLMNAMEN1
SCHEMBL11769203 0.84 MAPT (0.45) SAE1UBA2MAPTLMNAMEN1
SCHEMBL11768213 0.84 SAE1 (0.58) SAE1UBA2MAPTLMNAMEN1
SCHEMBL11769135 0.83 MAPT (0.44) SAE1UBA2MAPTLMNAMEN1
SCHEMBL11769588 0.82 NPC1 (0.57) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11766254 0.82 GAA (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL11767273 0.81 NAMPT (0.57) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL31434486 0.80 MAPT (0.55) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL158290 0.79 MEN1 (0.54) MAPTLMNAMEN1KMT2AALDH1A1

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
US-3970752-A Coccidiocidal compositions utilizing 1-phenyl-substituted 1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US disclosed
US-3948893-A COCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed