SCHEMBL11733554

SCHEMBL11733554

CCN(Cc1ccc(N)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP3A4 P08684 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 2/20 0.59
PSMD14 O00487 1/20 0.59
RECQL P46063 1/20 0.59
GFER P55789 1/20 0.59
CNR2 P34972 5/20 0.58
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10807532 0.93 TSHR (0.75) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL4407628 0.90 TSHR (0.91) TSHRALDH1A1TDP1MAPK1CNR2
SCHEMBL1981049 0.88 TSHR (0.55) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL179996 0.86 TSHR (1.00) TSHRALDH1A1TDP1L3MBTL1MAPK1
Diethylaniline SCHEMBL10392915 0.86 ALDH1A1 (0.78) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL20119625 0.85 TSHR (0.81) TSHRALDH1A1TDP1MAPK1CNR2
SCHEMBL4400867 0.85 TSHR (0.81) TSHRALDH1A1TDP1MAPK1CNR2
Hydrochloric Acid SCHEMBL3672654 0.84 TSHR (0.96) TSHRALDH1A1TDP1L3MBTL1MAPK1
Bromide SCHEMBL27967621 0.84 TSHR (0.96) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL11725374 0.83 TSHR (0.78) TSHRALDH1A1TDP1MAPK1CNR2

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-4002631-A HEAT-SENSITIVE COLOR FORMERS HODOGAYA CHEMICAL CO., LTD. (JA) 1977-01-11 US disclosed