SCHEMBL19848720

SCHEMBL19848720

Cc1ccc2nnn(Cc3ccccc3Cc3ccc4nnn(-c5ccncc5)c4c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.39
KCNMA1 Q12791 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2 Q05397 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRD4 O60885 1/20 0.34
SLC9A1 P19634 2/20 0.34
GRM2 Q14416 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL19911495 0.78 ALDH1A1 (0.45) NT5EKCNMA1ALDH1A1KDM4EKMT2A
SCHEMBL19848719 0.72 KDM4E (0.53) NT5EALDH1A1KDM4ELMNATP53
SCHEMBL20888749 0.71 TNF (0.46) ALDH1A1KDM4ELMNAHPGDKMT2A
SCHEMBL19911496 0.71 GRM2 (0.66) ALDH1A1KDM4ETP53PTK2TDP1
SCHEMBL19848242 0.68 ALDH1A1 (0.49) KCNMA1ALDH1A1KDM4ELMNAHPGD
SCHEMBL20888809 0.65 HCAR3 (0.43) NT5ETP53HPGDTSHRPTK2
SCHEMBL22567102 0.65 ALDH1A1 (0.51) NT5EALDH1A1KDM4ELMNATP53
SCHEMBL24046811 0.65 GAA (0.49) KCNMA1ALDH1A1KDM4ELMNATP53
SCHEMBL19848168 0.64 ALDH1A1 (0.64) KCNMA1ALDH1A1KDM4ELMNATSHR
SCHEMBL19848435 0.64 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRCYP1A2

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
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed