SCHEMBL9510482

SCHEMBL9510482

COc1ccc(C[Mg]Br)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
APLNR P35414 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
ADRA1A P35348 1/20 0.40
POLB P06746 1/20 0.39
CPS1 P31327 2/20 0.38
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL3677716 0.81 KDM1A (0.44) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL29447917 0.79 TAAR1 (0.44) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL8132364 0.79 POLB (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL8165383 0.78 HSD17B10 (0.45) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL2425644 0.77 TAAR1 (0.50) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL7670936 0.77 POLB (0.45) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL3321047 0.77 KDM1A (0.44) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL3851963 0.77 IDO1 (0.47) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL2290549 0.77 KDM4E (0.46) KDM1AMAOAMAOBAPLNRCYP1A1
SCHEMBL489792 0.77 ALDH1A1 (0.47) KDM1AMAOAMAOBAPLNRCYP1A1

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-0272115-B1 OPTICALLY ACTIVE LIQUID CRYSTALLINE BIPHENYL COMPOUND Chisso Corporation (JP) 1993-10-13 EP disclosed
EP-0272115-A2 Optically active liquid crystalline biphenyl compound Chisso Corporation (JP) 1988-06-22 EP disclosed