SCHEMBL11850067

SCHEMBL11850067

O=C1c2ccccc2N(C2CC2)C2=NCCN12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ DNMT1 P26358 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ UHRF1 Q96T88 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ GAA P10253 3/20 0.38
▸ GFER P55789 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ RECQL P46063 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL11846556 0.93 TSHR (0.50) TSHRDNMT1RAD52UHRF1DRD2
SCHEMBL11477847 0.78 TSHR (0.56) TSHRDNMT1RAD52UHRF1DRD2
SCHEMBL11852039 0.77 TSHR (0.62) TSHRDNMT1RAD52UHRF1GAA
SCHEMBL11852580 0.75 TSHR (0.54) TSHRDNMT1RAD52UHRF1GAA
SCHEMBL9533673 0.75 TSHR (0.54) TSHRDNMT1RAD52UHRF1DRD2
SCHEMBL11846561 0.75 TSHR (0.54) TSHRDNMT1RAD52UHRF1GAA
SCHEMBL11848745 0.75 TSHR (0.57) TSHRGAAGFERLMNAALDH1A1
SCHEMBL2494160 0.74 TSHR (0.67) TSHRDNMT1RAD52UHRF1GAA
SCHEMBL9532198 0.74 TSHR (0.53) TSHRDNMT1RAD52UHRF1GAA
SCHEMBL11807301 0.74 ALDH1A1 (0.52) TSHRGFERLMNAALDH1A1POLB

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-3969506-A BRONCHODILATOR SANDOZ, INC. (US) 1976-07-13 — — US disclosed
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