SCHEMBL22721410

SCHEMBL22721410

CCC(O)CNCc1cnc2ccccc2c1I

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.47
▸ DNM1 Q05193 10/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLR7 Q9NYK1 2/20 0.35
▸ CD274 Q9NZQ7 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL22721408 1.00 ROCK2 (0.47) ROCK2DNM1ALDH1A1NPSR1MITF
SCHEMBL22721404 0.85 ROCK2 (0.47) ROCK2DNM1ALDH1A1NPSR1MITF
SCHEMBL22721406 0.85 ROCK2 (0.47) ROCK2DNM1ALDH1A1NPSR1MITF
SCHEMBL22721625 0.72 KDM4E (0.44) ALDH1A1LMNASMN1; SMN2TLR7MEN1
SCHEMBL22721452 0.72 ROCK2 (0.56) ROCK2DNM1ALDH1A1NPSR1MITF
SCHEMBL22721450 0.72 ROCK2 (0.56) ROCK2DNM1ALDH1A1NPSR1MITF
SCHEMBL18322510 0.69 ROCK2 (0.46) ROCK2DNM1ALDH1A1NPSR1CD274
SCHEMBL20297332 0.69 ROCK2 (0.46) ROCK2DNM1ALDH1A1NPSR1CD274
SCHEMBL10374271 0.68 DNM1 (0.61) ROCK2DNM1ALDH1A1NPSR1MITF
SCHEMBL22721429 0.68 DNM1 (0.47) DNM1ALDH1A1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174289-A Benzotriazole derivatives 宇部兴产株式会社 2022-03-11 — — CN disclosed
WO-2020241853-A1 BENZOTRIAZOLE DERIVATIVE 宇部興産株式会社 2020-12-03 — — WO disclosed
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