SCHEMBL6947510

SCHEMBL6947510

Cc1ccc(Oc2ncc[nH]2)cc1.P=NP

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
GAA P10253 2/20 0.35
CYP2C9 P11712 2/20 0.35
TEAD4 Q15561 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5969677 0.90 NISCH (0.48) NISCHMEN1KMT2ANPC1RAB9A
SCHEMBL1983146 0.72 NISCH (0.45) NISCHNPC1RAB9ATTBK1TTBK2
SCHEMBL4722556 0.69 ALDH1A1 (0.31) NISCHCYP2C9ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL943191 0.69 ALDH1A1 (0.38) CYP2C9ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL876246 0.69 ALDH1A1 (0.43) NISCHMEN1KMT2AADRA2AADRA2C
SCHEMBL2221480 0.68 F2 (0.58) ADRA2AADRA1AKCNH2CYP2D6
SCHEMBL3708834 0.64 KEAP1 (0.43) NISCHMEN1KMT2ANPC1RAB9A
SCHEMBL16313542 0.64 NPC1 (0.53) NISCHNPC1RAB9ACYP2C9ALDH1A1
SCHEMBL10753747 0.61 NISCH (0.40) NISCHMEN1KMT2ANPC1RAB9A
SCHEMBL83814 0.61 TEAD4 (0.74) MEN1KMT2AGAACYP2C9TEAD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6761909-B1 COMPRESSED ANTISOLVENT FLUID PRECIPITATES PARTICLES; ORGANIC COSOLVENT SYSTEM; BIOCOMPATIBLE POLYMER FOR PULMONARY SUSTAINED INSULIN RELEASE; INHALANT POWDER; SOLVENT EXTRACTION RXKINETIX, INC. 2004-07-13 US disclosed