SCHEMBL9738010

SCHEMBL9738010

Cc1c(C#Cc2[nH]c(C=O)c(C)c2C)[nH]c(C=O)c1C

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2490933 0.82 KMT2A (0.33) ALDH1A1POLBKMT2A
SCHEMBL2491769 0.79 ALDH1A1 (0.36) ALDH1A1POLBKMT2A
SCHEMBL10810611 0.74 ALDH1A1 (0.34) ALDH1A1POLBKMT2A
SCHEMBL18190428 0.68 ALDH1A1 (0.32) ALDH1A1POLBKMT2A
SCHEMBL9736823 0.67 IGF1R (0.32)
SCHEMBL9737200 0.66 TYMP (0.35) ALDH1A1
SCHEMBL11763540 0.63 ALDH1A1 (0.32) ALDH1A1POLBKMT2A
SCHEMBL11761527 0.63 SMN1; SMN2 (0.38) ALDH1A1POLBKMT2A
SCHEMBL7239817 0.62 TYMP (0.48) ALDH1A1POLBKMT2A
SCHEMBL2543556 0.62 KDR (0.41) ALDH1A1POLBKMT2A

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-5132101-A Acetylene-cumulene porphycene compounds for photodynamic therapy CYTOPHARM, INC. (US) 1992-07-21 US disclosed