SCHEMBL10468637

SCHEMBL10468637

CC12C(C#N)C(=O)N[C@@]1(c1ccccc1)NC(=O)[C@@H]2C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
PIM1 P11309 1/20 0.34
MGAT2 Q10469 2/20 0.34
OTUD7B Q6GQQ9 1/20 0.34
PKM P14618 1/20 0.33
CACNA1F O60840 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33

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
SCHEMBL10519147 0.82 PIM1 (0.35) MMP2MMP9ALDH1A1LMNAPIM1
SCHEMBL10469653 0.76 ALDH1A1 (0.36) MMP2MMP9ALDH1A1LMNAPIM1
SCHEMBL10469654 0.76 ALDH1A1 (0.36) MMP2MMP9ALDH1A1LMNAPIM1
SCHEMBL7711516 0.75 MMP2 (0.39) MMP2MMP9ALDH1A1LMNAPIM1
SCHEMBL7712019 0.70 ALDH1A1 (0.38) MMP2MMP9ALDH1A1LMNAPIM1
SCHEMBL7713916 0.68 LMNA (0.40) MMP2MMP9ALDH1A1LMNAMAPT
SCHEMBL7712022 0.68 LMNA (0.34) MMP2MMP9ALDH1A1LMNAPIM1
SCHEMBL7711504 0.67 MMP2 (0.39) MMP2MMP9ALDH1A1LMNAMGAT2
SCHEMBL7708682 0.66 MMP2 (0.36) MMP2MMP9ALDH1A1LMNAGAA
SCHEMBL7711670 0.65 LMNA (0.35) MMP2MMP9ALDH1A1LMNAMAPT

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
US-4958022-A Polycyclic compounds BASF AKTIENGESELLSCHAFT (DE) 1990-09-18 US disclosed
EP-0330131-A1 Polycyclic compounds and their use BASF Aktiengesellschaft (DE) 1989-08-30 EP disclosed