SCHEMBL11768366

SCHEMBL11768366

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.54
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
IL18 Q14116 1/20 0.48
KDR P35968 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL14423993 0.92 CNR1 (0.62) CNR1SAE1UBA2MEN1KMT2A
SCHEMBL11769710 0.89 SAE1 (0.54) CNR1SAE1UBA2MEN1KMT2A
SCHEMBL11770549 0.85 CNR1 (0.48) CNR1SAE1UBA2MEN1KMT2A
SCHEMBL11766875 0.84 KMT2A (0.50) CNR1SAE1UBA2MEN1KMT2A
SCHEMBL14424467 0.83 HDAC1 (0.60) CNR1SAE1UBA2MEN1KMT2A
SCHEMBL11768869 0.83 MAPT (0.64) CNR1MEN1KMT2AMAPTALDH1A1
SCHEMBL14424473 0.82 EPHX1 (0.64) CNR1SAE1UBA2MAPTALDH1A1
SCHEMBL11772163 0.82 CNR1 (0.61) CNR1MEN1KMT2AMAPTHTT
SCHEMBL11768213 0.81 SAE1 (0.58) CNR1SAE1UBA2MEN1KMT2A
SCHEMBL17079618 0.81 EPHX1 (0.67) CNR1SAE1UBA2ALDH1A1HTT

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