SCHEMBL30437405

SCHEMBL30437405

CC(Nc1ccc2ccccc2c1-c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.41
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
CCNE2 O96020 3/20 0.40
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ATP1A1 P05023 4/20 0.39
ATP1B1 P05026 4/20 0.39
ATP1A3 P13637 4/20 0.39
ATP1B2 P14415 4/20 0.39
ATP1A2 P50993 4/20 0.39

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
SCHEMBL7567033 0.78 CA12 (0.53) MEN1KMT2AMAPTHTTGALR3
SCHEMBL2801565 0.76 MAPT (0.41) MAPTSMN1; SMN2
SCHEMBL13218574 0.75 RCE1 (0.47) MEN1KMT2AMAPT
SCHEMBL20308929 0.74 CCNE2 (0.33) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL20308925 0.74 TP53 (0.36) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL19672991 0.72 CYP3A4 (0.43) MEN1KMT2AMAPT
SCHEMBL19672933 0.72 SOS1 (0.41) MEN1KMT2AMAPTHTTEGFR
SCHEMBL20308908 0.72 SOS1 (0.41) MEN1KMT2AMAPTHTTEGFR
SCHEMBL11848196 0.71 ALDH1A1 (0.58) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL31243247 0.71 ALDH1A1 (0.58) MEN1KMT2AMAPTHTTSMN1; SMN2

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-116253648-A Synthesis method of aromatic amine compound without metal participation 西安交通大学 2023-06-13 CN disclosed