SCHEMBL7915534

SCHEMBL7915534

CCOc1cc(C(C)C)ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 3/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
IGF1R P08069 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7923508 0.93 MEN1 (0.44) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7915519 0.92 HTR1A (0.44) MAPTALDH1A1LMNAPOLBACHE
SCHEMBL7921447 0.90 CA12 (0.47) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7923530 0.88 CA12 (0.48) MAPTALDH1A1LMNAPOLBCA12
SCHEMBL7923493 0.87 LMNA (0.47) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL7923135 0.86 LMNA (0.57) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL7921573 0.86 LMNA (0.58) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL7927377 0.84 LMNA (0.56) MAPTALDH1A1LMNAPOLBACHE
SCHEMBL7921549 0.80 LMNA (0.47) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL7921905 0.80 LMNA (0.46) MAPTALDH1A1LMNAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed