SCHEMBL8419261

SCHEMBL8419261

c1ccc(N=C(c2ccccc2)P(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
PLAU P00749 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8424311 0.78 RAB9A (0.34) MEN1KMT2ALMNACYP1A2POLB
SCHEMBL27714879 0.72 RAB9A (0.39) MEN1KMT2ALMNAKDM4EPOLB
SCHEMBL20955841 0.72 MCL1 (0.43) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL6937935 0.70 MCL1 (0.35) LMNAKDM4EPOLBALDH1A1RAB9A
SCHEMBL7034476 0.70 KDM1A (0.30)
SCHEMBL377393 0.69 RAB9A (0.37) LMNACYP1A2KDM4EPOLBALDH1A1
SCHEMBL30989518 0.68 RAB9A (0.33) MEN1KMT2ALMNAKDM4EPOLB
SCHEMBL8424763 0.67 KMT2A (0.47) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL11762442 0.67 HPGD (0.43) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL15364449 0.67 ESR1 (0.36) MEN1KMT2ALMNACYP1A2ALDH1A1

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
EP-0944666-A1 CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1998025991-A1 CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed