SCHEMBL9263204

SCHEMBL9263204

CC1(C)CC(C)(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.41
HSPA9 P38646 2/20 0.41
HSD17B10 Q99714 2/20 0.39
ACHE P22303 1/20 0.39
AKR1B1 P15121 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP2 O95551 1/20 0.37
PNMT P11086 4/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL11691096 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1LMNAHTTTSHR
SCHEMBL29895266 0.94 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1LMNAHTTTSHR
SCHEMBL28449071 0.91 ALDH1A1 (0.46) SMN1; SMN2MAPK1LMNAHTTTSHR
SCHEMBL28517552 0.85 ALDH1A1 (0.46) SMN1; SMN2MAPK1LMNAHTTTSHR
SCHEMBL10652160 0.83 ALDH1A1 (0.45) SMN1; SMN2MAPK1LMNAHTTALDH1A1
SCHEMBL23795255 0.80 MDM2 (0.43) SMN1; SMN2MAPK1LMNAHTTTSHR
SCHEMBL23795274 0.77 MDM2 (0.43) SMN1; SMN2MAPK1LMNAHTTTSHR
SCHEMBL9356391 0.76 LTA4H (0.46) SMN1; SMN2LMNATSHRALDH1A1RAB9A
SCHEMBL448167 0.76 TSHR (0.47) LMNATSHRALDH1A1TDP1CYP3A4
SCHEMBL21925718 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436848-A Synthesis method of 5(6) -amino-1- (4-aminophenyl) -1,3,3-trimethylindane 山东华夏神舟新材料有限公司 2022-05-06 CN disclosed
CN-111484412-A Method for synthesizing compound containing indan structure 上海华谊树脂有限公司 2020-08-04 CN disclosed
EP-0519368-B1 Process for the purification of diaminodiphenyl compounds BROMINE COMPOUNDS LTD (IL) 1995-10-11 EP disclosed
US-5340445-A Vacuum distillation in presence of at least one alkaline metal , sublimation inhibition BROMINE COMPOUNDS LTD. (IL) 1994-08-23 US disclosed
EP-0519368-A2 Process for the purification of diaminodiphenyl compounds Bromine Compounds Ltd. (IL) 1992-12-23 EP disclosed