SCHEMBL9562173

SCHEMBL9562173

c1ccc2c(c1)CCN2C1=NCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
ROCK1 Q13464 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 3/20 0.40
SRD5A1 P18405 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 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
SCHEMBL11405247 0.72 ADRA2A (0.44) TP53LMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9868972 0.71 ROCK1 (0.47) TP53LMNAMAPK1ROCK1SMN1; SMN2
SCHEMBL8674172 0.70 ADRA2A (0.50) TP53LMNASMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL8674349 0.69 ADRA2A (0.48) TP53LMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL11455173 0.68 ADRA2A (0.47) ADRA2AADRA2BADRA2C
SCHEMBL1019181 0.68 NPC1 (0.49) TP53LMNAMAPK1ROCK1SMN1; SMN2
SCHEMBL29542545 0.67 ALDH1A1 (0.53) TP53LMNAMAPK1ROCK1SMN1; SMN2
SCHEMBL3905172 0.67 ALDH1A1 (0.53) TP53LMNAMAPK1ROCK1SMN1; SMN2
SCHEMBL3239758 0.67 ROCK1 (0.61) TP53LMNAMAPK1ROCK1SMN1; SMN2
SCHEMBL29721693 0.67 ROCK1 (0.61) TP53LMNAMAPK1ROCK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700429-A Polyurethane chain extender, polyurethane prepolymer, electrochromic polyurethane adhesive and preparation method thereof 广州白云科技股份有限公司 2024-03-15 CN disclosed
CN-113519939-B Mouth-nose mask for visible target collection of novel coronavirus sample and visible warning 中南大学 2021-12-28 CN disclosed
CN-113519939-A Mouth-nose mask for visible target collection of novel coronavirus sample and visible warning 中南大学 2021-10-22 CN disclosed
US-5185208-A Functional devices comprising a charge transfer complex layer MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1993-02-09 US disclosed
US-5009958-A Functional devices comprising a charge transfer complex layer MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-04-23 US disclosed