SCHEMBL7096905

SCHEMBL7096905

Oc1ccn(-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KCNH2 Q12809 5/20 0.40
BRD9 Q9H8M2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 3/20 0.40
TDO2 P48775 3/20 0.40
KAT2B Q92831 2/20 0.40
PIN1 Q13526 1/20 0.40
RXRA P19793 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
PRKCZ Q05513 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL28103272 0.87 KCNH2 (0.40) KCNH2IDO1TDO2
SCHEMBL729527 0.84 NOTUM (0.51)
SCHEMBL31587177 0.81 NOTUM (0.47) KMT2AKCNH2BRD9RXRAGRIN1
SCHEMBL20250029 0.80 CA12 (0.42) KMT2AKCNH2BRD9KAT2BPIN1
SCHEMBL16201986 0.80 KCNH2 (0.46) KMT2AKCNH2BRD9ALDH1A1KAT2B
SCHEMBL12967879 0.80 NPC1 (0.43) KMT2AALDH1A1POLBMEN1GAA
SCHEMBL31587364 0.78 KMT2A (0.46) KMT2ABRD9ALDH1A1KAT2BPIN1
SCHEMBL2384190 0.78 ALDH1A1 (0.47) KMT2AALDH1A1CYP1A2GAAMAPT
SCHEMBL31587119 0.78 KCNH2 (0.47) KMT2AKCNH2BRD9KAT2BPIN1
SCHEMBL12789222 0.77 KDM1A (0.41) ALDH1A1POLBCYP1A2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946514-B1 METHOD FOR PRODUCING N-SUBSTITUTED 3-HYDROXYPYRAZOLES BASF AG (DE) 2003-05-02 EP disclosed
CN-1098253-C Process for preparing N-substituted 3-hydroxypyrazoles BASF AG (DE) 2003-01-08 CN disclosed
US-6040458-A Method for producing N-substituted 3-hydroxypyrazoles BASF AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
CN-1240433-A Process for preparing N-substituted 3-hydroxypyrazoles BASF AG (DE) 2000-01-05 CN disclosed
EP-0946514-A1 METHOD FOR PRODUCING N-SUBSTITUTED 3-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
WO-1998027062-A1 METHOD FOR PRODUCING N-SUBSTITUTED 3-HYDROXYPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed