SCHEMBL11340285

SCHEMBL11340285

[NH]Cc1ccccc1C(Cl)(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
IDO1 P14902 7/20 0.35
TSHR P16473 3/20 0.35
PNMT P11086 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
DPP4 P27487 1/20 0.30
KCNN4 O15554 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5251085 0.80 HSPA5 (0.40) LMNAIDO1TSHRPNMTTAAR1
SCHEMBL10888499 0.78 APOBEC3G (0.44) LMNARAB9AIDO1TSHRPNMT
SCHEMBL10457917 0.78 TSHR (0.39) LMNAIDO1TSHRPNMTTAAR1
SCHEMBL9479489 0.76 ALDH1A1 (0.44) IDO1TSHRTDP1CYP3A4ALDH1A1
SCHEMBL43012 0.76 IDO1 (0.59) IDO1TDP1ALDH1A1KDM4EATM
SCHEMBL5249460 0.76 TSHR (0.35) LMNAIDO1TSHRPNMTTAAR1
SCHEMBL18243840 0.76 TSHR (0.35) SMN1; SMN2RAB9AIDO1TSHRPNMT
SCHEMBL8522980 0.76 GABRA1 (0.42) LMNAKCNH2ALDH1A1KDM4E
SCHEMBL18242672 0.73 TAAR1 (0.34) IDO1TSHRPNMTTAAR1
SCHEMBL2095076 0.73 IDO1 (0.41) IDO1TDP1ALDH1A1KDM4EATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US claimed