Aniline

Aniline

SCHEMBL3712431

CCC=C(C)C(N)=O.Nc1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
AKR1C3 P42330 1/20 0.36
PBRM1 Q86U86 1/20 0.34
MAPT P10636 3/20 0.34
CYP1B1 Q16678 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP3A4 P08684 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
PARP1 P09874 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
Aniline SCHEMBL6426296 0.87 AKR1C3 (0.46) TSHRAKR1C3PBRM1MAPTCYP1B1
Catechol SCHEMBL28835040 0.84 MAPT (0.40) TSHRAKR1C3MAPTCYP3A4RAB9A
SCHEMBL297210 0.80
SCHEMBL297211 0.80
SCHEMBL14982855 0.80
Aniline SCHEMBL554716 0.80 RAB9A (0.39) TSHRMTNR1AMTNR1BRAB9APOLB
SCHEMBL11515063 0.80 ADRA2A (0.44) TSHRMAPTMTNR1AMTNR1BCYP3A4
Hydrochloric Acid SCHEMBL18262307 0.78
Methylamine SCHEMBL4984027 0.78 ALOX15 (0.35) TDP1POLBBLMPMP22LMNA
Hydrochloric Acid SCHEMBL15846118 0.78

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
WO-2010085853-A1 METHOD AND APPARATUS FOR CULTIVATION OF ALGAE AND CYANOBACTERIA ZERO DISCHARGE PTY LTD (AU) 2010-08-05 WO disclosed