SCHEMBL3665330

SCHEMBL3665330

NC(=O)N1CC[CH]C(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
SLC18A3 Q16572 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3195746 0.78 SMN1; SMN2 (0.42) LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL3633479 0.74 PAX8 (0.44) ALDH1A1DPP4
SCHEMBL626155 0.68 AKR1C3 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL15524433 0.66 SLC18A3 (0.50) ALDH1A1LMNACA1CA2GAA
Urea SCHEMBL27805729 0.66 TSHR (0.74) ALDH1A1LMNATSHRCA12CA1
SCHEMBL1966806 0.65 POLB (0.47) ALDH1A1TSHRKMT2A
SCHEMBL14813594 0.65 MAOA (0.41) ALDH1A1TSHRGAAHPGDMAPT
SCHEMBL16649636 0.65 MAOA (0.41) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL3373977 0.65 AKR1C3 (0.45) ALDH1A1LMNAMAPTSLC18A3SMN1; SMN2
SCHEMBL3370958 0.65 AKR1C3 (0.45) ALDH1A1LMNAMAPTSLC18A3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed