SCHEMBL16401451

SCHEMBL16401451

[CH2]c1cn(Cc2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.61
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HRH4 Q9H3N8 1/20 0.53
HSP90AB1 P08238 2/20 0.51

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
SCHEMBL16401421 0.83 TYR (0.59) CYP19A1NPC1RAB9A
SCHEMBL16401955 0.83 NOTUM (0.65) CYP19A1HSP90AB1
SCHEMBL16401906 0.81 HDAC1 (0.49) CYP19A1HSP90AB1
SCHEMBL16401668 0.81 GBA1 (0.52) CYP19A1NPC1RAB9AHRH4
SCHEMBL27897303 0.81 CYP19A1 (0.66) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL22510634 0.80 CYP19A1 (0.82) CYP19A1NPC1RAB9A
SCHEMBL16401596 0.80 SIGMAR1 (0.51) NPC1RAB9A
SCHEMBL16401868 0.80 CD74 (0.48) CYP19A1NPC1RAB9AHSP90AB1
SCHEMBL3103838 0.79 CYP19A1 (0.68) CYP19A1NPC1RAB9AHRH4HSP90AB1
SCHEMBL12022159 0.79 KCNMA1 (0.69) CYP19A1NPC1RAB9AHRH4HSP90AB1

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-113226037-A Metal complexes for promoting the growth of photosynthetic organisms 帝国理工学院创新有限公司 2021-08-06 CN disclosed
CN-111033259-A Substrate for biochip, method for producing biochip, and method for storing biochip 三菱瓦斯化学株式会社 2020-04-17 CN disclosed
CN-110294725-A A kind of derivative and its process for catalytic synthesis of sponge furanone 广东医科大学 2019-10-01 CN disclosed
CN-105324116-B Adjust the multivalence interaction with the biopolymer of polyproline bracket 新加坡科技研究局 2019-03-29 CN disclosed
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed