SCHEMBL29966397

SCHEMBL29966397

NC(=O)CCCc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SLC2A1 P11166 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
IDO1 P14902 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL12526403 1.00 ADRA2A (0.48) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL22557298 0.92 ADRA2A (0.49) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL12494119 0.88 ADRA2A (0.46) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL3936383 0.88 CYP1A2 (0.43) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL9655999 0.84 ADRA2A (0.43) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL12526399 0.83 CYP2C19 (0.50) GAACYP1A2MAPTALDH1A1CYP2C19
SCHEMBL19089740 0.83 ADRA2A (0.55) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL10992041 0.81 ADRA2A (0.46) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL9657467 0.81 FFAR1 (0.50) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL3928261 0.81 MAPT (0.50) GAACYP1A2MAPTALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894469-A Preparation method of 2- (3- (5-nitropyridine-2-yl) propyl) oxazole serving as intermediate of prochloraz 江苏睿实生物科技有限公司 2023-04-04 CN claimed
CN-115286623-B Synthesis method of pramipexole and intermediate thereof 深圳湾实验室 2024-09-10 CN disclosed
CN-113717166-B Synthesis method of pramipexole 杭州科巢生物科技有限公司 2024-04-05 CN disclosed
CN-115894469-A Preparation method of 2- (3- (5-nitropyridine-2-yl) propyl) oxazole serving as intermediate of prochloraz 江苏睿实生物科技有限公司 2023-04-04 CN disclosed
CN-115894469-A Preparation method of 2- (3- (5-nitropyridine-2-yl) propyl) oxazole serving as intermediate of prochloraz 江苏睿实生物科技有限公司 2023-04-04 CN disclosed
CN-115286623-A Process for synthesis of prochloraz and intermediate thereof 深圳湾实验室 2022-11-04 CN disclosed