SCHEMBL5236488

SCHEMBL5236488

Cn1cc2c(n1)-c1sc(Cl)cc1N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.49
AVPR1A P37288 2/20 0.49
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STING1 Q86WV6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 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
SCHEMBL8558397 0.81 SMN1; SMN2 (0.47) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL5237725 0.77 MEN1 (0.47) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL5231836 0.74 STING1 (0.38) RECQLSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL7313747 0.74 STING1 (0.38) RECQLSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5272194 0.72 AVPR1A (0.54) AVPR2AVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL7319409 0.71 AVPR2 (0.66) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL19078673 0.69 L3MBTL1 (0.48) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL19064489 0.68 L3MBTL1 (0.46) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL19454365 0.68 ALDH1A1 (0.43) AVPR2AVPR1ARAB9ASMN1; SMN2HPGD
SCHEMBL20618436 0.67 PGR (0.38) SMN1; SMN2HPGDSTING1ALDH1A1MAPT

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
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed