SCHEMBL21812701

SCHEMBL21812701

COc1cc(N2CCN(C)CC2)ccc1-c1csc(CNC(=O)C2(CC(=O)O)Cc3ccccc3C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TNK2 Q07912 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK4 P11802 1/20 0.35

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
SCHEMBL21812833 0.88 MAPT (0.33) MAPTRAB9AKMT2AMAPK1NPC1
SCHEMBL21813017 0.85 CHEK1 (0.40) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL21812655 0.85 GAA (0.41) MAPTRAB9AKMT2AMAPK1NPC1
SCHEMBL21812789 0.85 HPGDS (0.43) MAPTKMT2AMAPK1MEN1KDM4E
SCHEMBL21812658 0.85 PHGDH (0.42) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL21812582 0.83 REV1 (0.39) MAPTRAB9AKMT2ATP53TSHR
SCHEMBL21916457 0.83 PLK1 (0.41) EGFR
SCHEMBL21834643 0.82 SMN1; SMN2 (0.42) HTR6DYRK1AIRAK4MAPTRAB9A
SCHEMBL21812575 0.80 DGAT2 (0.39) RAB9AKMT2AMAPK1MEN1
SCHEMBL20511854 0.79 HTR6 (0.38) HTR6DYRK1AMAPTRAB9ANPC1

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
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 — — WO claimed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 — — EP claimed
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 — — WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 — — EP disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 — — EP disclosed
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