SCHEMBL8968159

SCHEMBL8968159

Cc1ccc(C(=O)C[n+]2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 6/20 0.62
LMNA P02545 5/20 0.62
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PABPC1 P11940 2/20 0.55
KMT2A Q03164 4/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.50
MITF O75030 1/20 0.50
NR2F2 P24468 1/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.46

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
SCHEMBL841434 0.89 ALDH1A1 (0.69) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5907533 0.88 ALDH1A1 (0.72) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Bromide SCHEMBL3616347 0.88 KDM4E (0.70) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Iodide SCHEMBL20704647 0.88 PABPC1 (0.70) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8660257 0.86 KDM4E (0.64) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8968392 0.85 KDM4E (0.58) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8660261 0.81 ALDH1A1 (0.59) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13203515 0.79 KDM4E (0.96) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL765905 0.79 KDM4E (0.76) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Bromide SCHEMBL31501128 0.78 LMNA (0.74) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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-5541032-A CHARGE STABILIZERS WHICH ARE INSENSITIVE TO MOISTURE, HEAT RESISTANT AND PRODUCE CRISP, UNIFORM VISIBLE IMAGES OF HIGH COLOR INTENSITY BASF AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed