SCHEMBL28579166

SCHEMBL28579166

NC(=O)c1ccccc1N1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.46
ENPP2 Q13822 1/20 0.44
AKR1C3 P42330 1/20 0.43
USP2 O75604 1/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCD O00767 1/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
RBP4 P02753 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5761335 0.82 ADRA2C (0.51) NPC1TSHRSMN1; SMN2MAPK1AKR1C3
Trifluoroacetic Acid SCHEMBL5104669 0.79 NPC1 (0.79) NPC1TSHRSMN1; SMN2USP2KDM4E
SCHEMBL18600532 0.79 CYP1A2 (0.50) TSHRSMN1; SMN2MAPK1AKR1C3USP2
SCHEMBL614496 0.79 AKR1C3 (0.58) NPC1TSHRMAPK1AKR1C3KMT2A
SCHEMBL21393223 0.78 NPC1 (0.62) NPC1TSHRSMN1; SMN2PARP1KMT2A
SCHEMBL3654065 0.77 NPC1 (0.96) NPC1TSHRSMN1; SMN2MAPK1USP2
SCHEMBL17009548 0.77 NPC1 (0.89) NPC1TSHRSMN1; SMN2USP2KDM4E
SCHEMBL31565663 0.77 NPC1 (0.96) NPC1TSHRSMN1; SMN2MAPK1USP2
SCHEMBL6159637 0.77 NPC1 (0.57) NPC1SMN1; SMN2PARP1MAPTLMNA
SCHEMBL3081421 0.76 NPC1 (0.70) NPC1MAPK1PARP1KDM4EALOX15

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
CN-112888681-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2021-06-01 CN disclosed