SCHEMBL7667683

SCHEMBL7667683

CCCCn1cnc2c(OCC)nc(Nc3ccc(Cl)cc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.55
CDK2 P24941 9/20 0.55
PDGFRA P16234 8/20 0.55
POLB P06746 1/20 0.49
CTSL P07711 1/20 0.46
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
AGPAT2 O15120 1/20 0.40
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
NR3C1 P04150 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL7668634 0.89 CCNE1 (0.54) CCNE1CDK2PDGFRACTSL
SCHEMBL7667689 0.86 KCNH3 (0.46) CCNE1CDK2PDGFRACTSL
SCHEMBL7668440 0.86 CCNE1 (0.51) CCNE1CDK2PDGFRA
SCHEMBL7666287 0.85 PDGFRA (0.41) CCNE1CDK2PDGFRACTSLNR3C1
SCHEMBL7673595 0.84 KDM4E (0.45) CCNE1CDK2PDGFRACTSLHPGD
SCHEMBL7661594 0.83 CDK2 (0.43) CCNE1CDK2PDGFRACTSLHDAC1
SCHEMBL7674300 0.81 CTSL (0.50) CCNE1CDK2PDGFRACTSLNPC1
SCHEMBL7667654 0.81 CCNE1 (0.53) CCNE1CDK2PDGFRACTSL
SCHEMBL7671239 0.81 PDGFRA (0.43) CCNE1CDK2PDGFRACTSLKDM4E
SCHEMBL7358873 0.80 CTSL (0.46) CCNE1CDK2PDGFRACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414147-B1 DIAGNOSIS AND TREATMENT OF ANXIETY, DEPRESSION, SLEEP AND SEIZURE DISORDERS, DOWN'S SYNDROME, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR ENHANCEMENT OF MEMORY NEUROGEN CORPORATION 2002-07-02 US claimed
US-6476173-B1 Propylene homopolymers and methods of making the same EXXON MOBIL CHEMICAL PATENTS INC. 2002-11-05 US disclosed
US-6414147-B1 DIAGNOSIS AND TREATMENT OF ANXIETY, DEPRESSION, SLEEP AND SEIZURE DISORDERS, DOWN'S SYNDROME, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR ENHANCEMENT OF MEMORY NEUROGEN CORPORATION 2002-07-02 US disclosed