SCHEMBL7130223

SCHEMBL7130223

BrC1(Br)CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
HDAC9 Q9UKV0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7351821 0.79 KDM1A (0.46) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL3832135 0.79 KDM1A (0.46) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL9464679 0.79 KDM1A (0.46) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL7887551 0.79 KDM1A (0.46) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL14555232 0.77 HTR2A (0.35) KDM1AMAOBTSHRHTR2A
SCHEMBL666915 0.77 HTR2A (0.55) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL29706173 0.77 HTR2A (0.35) KDM1AMAOBTSHRHTR2A
SCHEMBL133897 0.76 HDAC9 (0.46) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL19041309 0.75 SIGMAR1 (0.58) KDM1AMAOBTSHRSIGMAR1ALDH1A1
SCHEMBL31741763 0.75 HTR2A (0.53) KDM1AMAOBTSHRTDP1HTR2A

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
CN-107074678-A Method for producing fullerene derivative 昭和电工株式会社 2017-08-18 CN disclosed
JP-2003096001-A METHOD FOR PRODUCING BROMOINDENE TOSOH CORP 2003-04-03 JP disclosed