SCHEMBL7952738

SCHEMBL7952738

COc1ccc(Cl)cc1-n1cncc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MARS1 P56192 1/20 0.39
DYRK3 O43781 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37

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
SCHEMBL7944067 0.81 HSP90AA1 (0.46) IDO1MARS1DYRK1ADYRK2HSP90AA1
SCHEMBL7952751 0.78 TUBB4A (0.43) IDO1TDO2ALDH1A1HTR3EHTR3B
SCHEMBL8389694 0.74 NPBWR1 (0.43) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5757047 0.72 APLNR (0.45) ALDH1A1CYP2C9NR1I2
SCHEMBL7944039 0.72 PPARD (0.55)
SCHEMBL30843174 0.71 TP53 (0.43) IDO1TDO2MARS1DYRK3CCNA2
SCHEMBL7952036 0.70 SMN1; SMN2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5753851 0.70 MAPT (0.49) MARS1TSHRNPSR1KCNQ3KCNQ2
SCHEMBL5755896 0.70 SMN1; SMN2 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7952535 0.70 TNKS (0.43) MARS1ALDH1A1HTR3EHTR3BHTR3A

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-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed